Geometry & MOs

Info

ID:	152813
PubChem CID:	56311887
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	463.204196
ΔH_f, kcal/mol:	-136.16
Dipole, Da:	3.68
IP(EA), eV:	-8.62(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCCC3C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations