Geometry & MOs

Info

ID:	277592
PubChem CID:	103829732
Reduced:	FNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	235.075705
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	4.48
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)O)C(=O)NCCC2=CSC=C2

DOS

IR

Vibrations