Geometry & MOs

Info

ID:	235657
PubChem CID:	92710333
Reduced:	ClN2O4H21C24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	443.140055
ΔH_f, kcal/mol:	-89.04
Dipole, Da:	4.86
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)NC(=O)[C@H]2CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations