Geometry & MOs

Info

ID:	122656
PubChem CID:	50816299
Reduced:	ClSO3N4C17H19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	445.178376
ΔH_f, kcal/mol:	-64.37
Dipole, Da:	3.17
IP(EA), eV:	-9.36(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-5-[1-(oxolan-2-ylmethylcarbamoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)N1CCC(CC1)C2=NN=C(S2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations