Geometry & MOs

Info

ID:	64378
PubChem CID:	29199394
Reduced:	SO3N5C24H32 (1)
Stoich.:	AB3C5D24E32 (1)
Weight, g/mol:	412.00924
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	8.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752238
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[methoxy(methyl)sulfamoyl]-N-methyl-N-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CC[NH+](CC4)C

DOS

IR

Vibrations