Geometry & MOs

Info

ID:	46830
PubChem CID:	10527679
Reduced:	N3O4C26H35 (1)
Stoich.:	A3B4C26D35 (1)
Weight, g/mol:	453.122107
ΔH_f, kcal/mol:	-140.27
Dipole, Da:	2.16
IP(EA), eV:	-7.81(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-[bis(phenylsulfanyl)methyl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CCN1C=C2C[C@@H]3C(=C[C@H](CN3C)CN(CC(=O)OCC)CC(=O)OCC)C4=C2C1=CC=C4

DOS

IR

Vibrations