Geometry & MOs

Info

ID:	121965
PubChem CID:	50788302
Reduced:	ClSO3N5C19H22 (1)
Stoich.:	ABC3D5E19F22 (1)
Weight, g/mol:	497.128838
ΔH_f, kcal/mol:	-71.08
Dipole, Da:	9.17
IP(EA), eV:	-8.94(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1CCCN(C1)C(=O)C2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations