Geometry & MOs

Info

ID:	404252
PubChem CID:	135065616
Reduced:	PN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	482.045168
ΔH_f, kcal/mol:	-132.65
Dipole, Da:	2.62
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-(2,4-dinitrophenyl)-4-(4-methoxyphenyl)sulfanylpyrazole

Drug info:

PubChemData

Smile

COP(=O)(C1=C(C(=NN1)C=C)C2=CC=CO2)OC

DOS

IR

Vibrations