Geometry & MOs

Info

ID:	153028
PubChem CID:	56312144
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	465.183461
ΔH_f, kcal/mol:	-40.14
Dipole, Da:	3.33
IP(EA), eV:	-8.75(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-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)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations