Geometry & MOs

Info

ID:	60517
PubChem CID:	26697121
Reduced:	BrN2S2O3C19H23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	435.101955
ΔH_f, kcal/mol:	-82.28
Dipole, Da:	6.53
IP(EA), eV:	-8.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-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)NS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations