Geometry & MOs

Info

ID:	234816
PubChem CID:	92303546
Reduced:	ClSN2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	354.149891
ΔH_f, kcal/mol:	-82.75
Dipole, Da:	4.5
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-butan-2-yl]-3-(4-chlorophenyl)-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2[C@H](SCC2=O)C3=CC(=CC=C3)NC(=O)CCl

DOS

IR

Vibrations