Geometry & MOs

Info

ID:	271727
PubChem CID:	103689683
Reduced:	S2N3O4C11H13 (1)
Stoich.:	A2B3C4D11E13 (1)
Weight, g/mol:	372.97319
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	5.49
IP(EA), eV:	-9.3(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)S(=O)(=O)NC2=CN(N=C2C)C

DOS

IR

Vibrations