Geometry & MOs

Info

ID:	235567
PubChem CID:	92710052
Reduced:	S2N3O5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	461.107913
ΔH_f, kcal/mol:	-129.39
Dipole, Da:	4.27
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-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)OC4=CC=CC=C4

DOS

IR

Vibrations