Geometry & MOs

Info

ID:	122682
PubChem CID:	50817234
Reduced:	ClO2S2N4H21C22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	420.161997
ΔH_f, kcal/mol:	3.99
Dipole, Da:	1.01
IP(EA), eV:	-9.12(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CSC2=CC=CC=C2)C3=NN=C(S3)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations