Geometry & MOs

Info

ID:	58235
PubChem CID:	24434835
Reduced:	SCl3N6C17H17 (1)
Stoich.:	AB3C6D17E17 (1)
Weight, g/mol:	383.981479
ΔH_f, kcal/mol:	110.48
Dipole, Da:	7.04
IP(EA), eV:	-8.43(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-4-[(E)-(3,4-difluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=N/N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations