Geometry & MOs

Info

ID:	159374
PubChem CID:	57269730
Reduced:	SC4H8 (1)
Stoich.:	AB4C8 (1)
Weight, g/mol:	449.04328
ΔH_f, kcal/mol:	32.97
Dipole, Da:	1.01
IP(EA), eV:	-7.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(2,3,4-trifluorophenyl)formamide

Drug info:

PubChemData

Smile

CC=S=CC

DOS

IR

Vibrations