Geometry & MOs

Info

ID:	62049
PubChem CID:	26717272
Reduced:	SO3N6H18C21 (1)
Stoich.:	AB3C6D18E21 (1)
Weight, g/mol:	492.01547
ΔH_f, kcal/mol:	96.3
Dipole, Da:	2.29
IP(EA), eV:	-9.13(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfamoyl]-N-(2-fluoro-5-methylphenyl)-4-methoxybenzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC(=C(C=C3)SC4=NN=NN4C)[N+](=O)[O-]

DOS

IR

Vibrations