Geometry & MOs

Info

ID:	235263
PubChem CID:	92304304
Reduced:	NOC12H15 (2)
Stoich.:	ABC12D15 (2)
Weight, g/mol:	414.210742
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	5.8
IP(EA), eV:	-8.42(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C[C@H](C1=CC=C(C=C1)OC)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations