Geometry & MOs

Info

ID:	41192
PubChem CID:	8145427
Reduced:	ClFO2N3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	415.130066
ΔH_f, kcal/mol:	-51.04
Dipole, Da:	4.82
IP(EA), eV:	-8.47(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-methylanilino)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations