Geometry & MOs

Info

ID:	65083
PubChem CID:	29204443
Reduced:	ClSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	494.08749
ΔH_f, kcal/mol:	-162.23
Dipole, Da:	6.81
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2S)-1-(4-butylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

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