Geometry & MOs

Info

ID:	155421
PubChem CID:	56355066
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	440.04054
ΔH_f, kcal/mol:	7.34
Dipole, Da:	11.4
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfamoyl]-N-(4-methoxybutan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(C)C)C)/C=C(/C#N)\C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=NC=C3

DOS

IR

Vibrations