Geometry & MOs

Info

ID:	122683
PubChem CID:	50817235
Reduced:	SO2N4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	420.161997
ΔH_f, kcal/mol:	-2.65
Dipole, Da:	4.72
IP(EA), eV:	-8.85(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-methylbenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCCN(C3)C(=O)C4=CC=CC(=C4)C

DOS

IR

Vibrations