Geometry & MOs

Info

ID:	1641
PubChem CID:	4806
Reduced:	S2N3O5H13C17 (1)
Stoich.:	A2B3C5D13E17 (1)
Weight, g/mol:	403.029663
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	11.26
IP(EA), eV:	-8.59(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O

DOS

IR

Vibrations