Geometry & MOs

Info

ID:	130908
PubChem CID:	51125999
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	384.96196
ΔH_f, kcal/mol:	30.73
Dipole, Da:	7.54
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)COC3=CC=CC(=C3)C(=O)N(C)CC4=CSC=N4

DOS

IR

Vibrations