Geometry & MOs

Info

ID:	41293
PubChem CID:	8145617
Reduced:	NSO4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	369.142345
ΔH_f, kcal/mol:	-99.58
Dipole, Da:	6.35
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(CCOC2=CC=CC=C2)CCOC3=CC=CC=C3)C

DOS

IR

Vibrations