Geometry & MOs

Info

ID:	152131
PubChem CID:	56310996
Reduced:	FON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	453.163474
ΔH_f, kcal/mol:	-24.77
Dipole, Da:	4.77
IP(EA), eV:	-8.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-5-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=C4C(=C(C=C3)F)C=CC=N4

DOS

IR

Vibrations