Geometry & MOs

Info

ID:	156655
PubChem CID:	56371557
Reduced:	SO3N6C18H24 (1)
Stoich.:	AB3C6D18E24 (1)
Weight, g/mol:	424.00924
ΔH_f, kcal/mol:	6.89
Dipole, Da:	13.44
IP(EA), eV:	-8.79(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations