Geometry & MOs

Info

ID:	287929
PubChem CID:	104300093
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	376.04563
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	4.88
IP(EA), eV:	-9.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-methyl-N-(2-methylpentan-3-yl)-5-sulfamoylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C(CN)C2=CC=CC=N2)O)Br

DOS

IR

Vibrations