Geometry & MOs

Info

ID:	178419
PubChem CID:	76326402
Reduced:	ClPC29H54 (1)
Stoich.:	ABC29D54 (1)
Weight, g/mol:	428.062236
ΔH_f, kcal/mol:	-73.33
Dipole, Da:	109.99
IP(EA), eV:	-4.73(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methoxy]-4-[[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]amino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC[P+](C)(C)CC1=CC=C(C=C1)CC.[Cl-]

DOS

IR

Vibrations