Geometry & MOs

Info

ID:	235575
PubChem CID:	92710073
Reduced:	S3N4O4C16H18 (1)
Stoich.:	A3B4C4D16E18 (1)
Weight, g/mol:	417.058376
ΔH_f, kcal/mol:	-85.95
Dipole, Da:	2.83
IP(EA), eV:	-9.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1[C@H]2CCS(=O)(=O)C2)C)S(=O)(=O)NC3=CC=C(C=C3)SC#N

DOS

IR

Vibrations