Geometry & MOs

Info

ID:	68409
PubChem CID:	46508358
Reduced:	S2O3N4C10H14 (1)
Stoich.:	A2B3C4D10E14 (1)
Weight, g/mol:	488.068544
ΔH_f, kcal/mol:	-110.14
Dipole, Da:	3.53
IP(EA), eV:	-9.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SCC(=O)NC(=O)NC)CC(=O)N

DOS

IR

Vibrations