Geometry & MOs

Info

ID:	65081
PubChem CID:	29204441
Reduced:	ClN2S2O5C21H27 (1)
Stoich.:	AB2C2D5E21F27 (1)
Weight, g/mol:	450.138006
ΔH_f, kcal/mol:	-192.54
Dipole, Da:	10.75
IP(EA), eV:	-8.92(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-butylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)[C@H](CCS(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations