Geometry & MOs

Info

ID:	235267
PubChem CID:	92304309
Reduced:	ClON2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	414.210742
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	4.58
IP(EA), eV:	-8.4(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C[C@@H](C1=CC=C(C=C1)Cl)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations