Geometry & MOs

Info

ID:	393524
PubChem CID:	135020890
Reduced:	OC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	535.229348
ΔH_f, kcal/mol:	11.25
Dipole, Da:	2.13
IP(EA), eV:	-9.37(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-morpholin-4-yl-6-(2-phenylethyl)-7-(phenylsulfanylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C/C(=C\CCC1=CC=CC=C1)/[C@@H](C=C=C)O

DOS

IR

Vibrations