Geometry & MOs

Info

ID:	60519
PubChem CID:	26697124
Reduced:	ClSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	434.06636
ΔH_f, kcal/mol:	-65.86
Dipole, Da:	4.56
IP(EA), eV:	-8.68(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2R)-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(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations