Geometry & MOs

Info

ID:	60518
PubChem CID:	26697123
Reduced:	ClSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	435.101955
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	5.63
IP(EA), eV:	-8.69(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2S)-1-(4-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations