Geometry & MOs

Info

ID:	391805
PubChem CID:	135009736
Reduced:	NSO6C40H41 (1)
Stoich.:	ABC6D40E41 (1)
Weight, g/mol:	783.361862
ΔH_f, kcal/mol:	-108.57
Dipole, Da:	3.35
IP(EA), eV:	-8.4(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]oxan-3-yl]oxymethyl]pyridine

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

COC1=CC=C(C=C1)S[C@@H]2C(C([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=N6

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

COC1=CC=C(C=C1)S[C@@H]2C(C([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=N6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):