Geometry & MOs

Info

ID:	235569
PubChem CID:	92710055
Reduced:	ClS2N3O4C16H20 (1)
Stoich.:	AB2C3D4E16F20 (1)
Weight, g/mol:	394.076947
ΔH_f, kcal/mol:	-137.4
Dipole, Da:	2.72
IP(EA), eV:	-9.17(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NS(=O)(=O)C2=C(N(N=C2C)[C@H]3CCS(=O)(=O)C3)C

DOS

IR

Vibrations