Geometry & MOs

Info

ID:	225034
PubChem CID:	85735741
Reduced:	NO2S3H7C8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	371.051067
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	3.95
IP(EA), eV:	-9.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-phenylpyrazol-3-yl)-1,3-benzothiazole-6-sulfonamide

Drug info:

PubChemData

Smile

C1SC(=NS1(=O)=O)SC2=CC=CC=C2

DOS

IR

Vibrations