Geometry & MOs

Info

ID:	156392
PubChem CID:	56370417
Reduced:	BrSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	481.0307
ΔH_f, kcal/mol:	-51.38
Dipole, Da:	4.31
IP(EA), eV:	-8.72(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-[[2-(4-bromophenyl)sulfonyl-2-methylpropanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)NC(=O)C(C)(C)S(=O)(=O)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations