Geometry & MOs

Info

ID:	235182
PubChem CID:	92304185
Reduced:	ClSN2O2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	416.165541
ΔH_f, kcal/mol:	-37.76
Dipole, Da:	5.13
IP(EA), eV:	-8.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-chlorophenyl)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N[C@@H]2NC(=O)/C(=C\C3=C(C=CC(=C3)Cl)O)/S2

DOS

IR

Vibrations