Geometry & MOs

Info

ID:	64262
PubChem CID:	29198758
Reduced:	ClSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	404.04054
ΔH_f, kcal/mol:	-181.0
Dipole, Da:	4.8
IP(EA), eV:	-9.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2R)-4-methylsulfonyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations