Geometry & MOs

Info

ID:	366098
PubChem CID:	127319459
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	337.089641
ΔH_f, kcal/mol:	-151.28
Dipole, Da:	6.76
IP(EA), eV:	-8.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations