Geometry & MOs

Info

ID:	380827
PubChem CID:	134971396
Reduced:	SO5C33H34 (1)
Stoich.:	AB5C33D34 (1)
Weight, g/mol:	1188.636491
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	2.33
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethoxy-[3-[6-[2-[(4R,6S)-6-[(R)-[4-[(R)-[(2S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazin-1-yl]oxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethylsulfonyl]hexoxy]propyl]-hexan-3-yloxy-methoxysilane

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)CO[C@@H]2C(O[C@H](C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)SC5=CC=CC=C5)CO

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)CO[C@@H]2C(O[C@H](C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)SC5=CC=CC=C5)CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):