Geometry & MOs

Info

ID:	235116
PubChem CID:	92304063
Reduced:	ClON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	354.149891
ΔH_f, kcal/mol:	-20.28
Dipole, Da:	2.08
IP(EA), eV:	-8.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C[C@@H](C1=CC=CC=C1Cl)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations