Geometry & MOs

Info

ID:	130542
PubChem CID:	51091157
Reduced:	NSO2F4H9C13 (1)
Stoich.:	ABC2D4E9F13 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-203.21
Dipole, Da:	4.83
IP(EA), eV:	-9.64(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-1-phenyl-N-prop-2-enylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=C(C=CC=C1F)F)S(=O)(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations