Geometry & MOs

Info

ID:	176310
PubChem CID:	76031890
Reduced:	FOSN6H17C20 (1)
Stoich.:	ABCD6E17F20 (1)
Weight, g/mol:	424.087308
ΔH_f, kcal/mol:	119.08
Dipole, Da:	8.0
IP(EA), eV:	-9.08(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(4-chlorophenyl)pyrazol-4-ylidene]methylamino]-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NNC(=S)N2NC=C3C=NN=C3C4=CC=C(C=C4)F

DOS

IR

Vibrations