Geometry & MOs

Info

ID:	380781
PubChem CID:	134971340
Reduced:	OC19H20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	994.396885
ΔH_f, kcal/mol:	-10.37
Dipole, Da:	1.56
IP(EA), eV:	-8.42(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(6S)-6-[(R)-[4-[(R)-[(4S)-5-[2-(2-hydroxyethylsulfonyl)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]ethanol

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

CC(C)(C)[C@H](C1=CC=CC2=CC3=CC=CC=C3C=C21)O

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

CC(C)(C)[C@H](C1=CC=CC2=CC3=CC=CC=C3C=C21)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):