Geometry & MOs

Info

ID:	44106
PubChem CID:	10500711
Reduced:	SO3N4H16C20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	392.117019
ΔH_f, kcal/mol:	37.72
Dipole, Da:	2.14
IP(EA), eV:	-8.45(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-methoxy-4-[(4-methylsulfanylphenyl)methyl]-3-(trifluoromethyl)pyrazole

Drug info:

PubChemData

Smile

COC1=C(N=C2N1N=C(C=C2)SCC3=CC=NC=C3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations