Geometry & MOs

Info

ID:	60624
PubChem CID:	26697299
Reduced:	ClSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	390.116877
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	2.95
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-1-(4-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](CCSC)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations