Geometry & MOs

Info

ID:	307607
PubChem CID:	125307726
Reduced:	N2O3H28C32 (1)
Stoich.:	A2B3C28D32 (1)
Weight, g/mol:	488.209993
ΔH_f, kcal/mol:	30.63
Dipole, Da:	4.83
IP(EA), eV:	-8.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2[C@H](C3=CC=CC=C3C2=O)C4=C5C=CC=CC5=N[C@@H]4C6=CC=CC=C6)OC

DOS

IR

Vibrations