Geometry & MOs

Info

ID:	60524
PubChem CID:	26697129
Reduced:	ClSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	435.101955
ΔH_f, kcal/mol:	-64.61
Dipole, Da:	6.44
IP(EA), eV:	-8.8(-1.97)
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]-4-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations