Geometry & MOs

Info

ID:	255159
PubChem CID:	103130431
Reduced:	FOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-13.8
Dipole, Da:	5.91
IP(EA), eV:	-8.52(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)CSC2=CC=CC(=C2)F

DOS

IR

Vibrations