Geometry & MOs

Info

ID:	122681
PubChem CID:	50817112
Reduced:	ClSO3N5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	472.079446
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	1.29
IP(EA), eV:	-9.06(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)N2CCCC(C2)C3=NN=C(S3)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations