Geometry & MOs

Info

ID:	307606
PubChem CID:	125307724
Reduced:	SO3N5H15C17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	488.209993
ΔH_f, kcal/mol:	19.44
Dipole, Da:	10.61
IP(EA), eV:	-9.57(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2R)-2-phenyl-2H-indol-3-yl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1[C@@H](N2C(=NC1=O)N=C(N2)COC3=CC=CC=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations