Geometry & MOs

Info

ID:	65082
PubChem CID:	29204442
Reduced:	ClSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	450.138006
ΔH_f, kcal/mol:	-159.91
Dipole, Da:	6.9
IP(EA), eV:	-8.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-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)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations