Geometry & MOs

Info

ID:	122655
PubChem CID:	50816202
Reduced:	O2N3H23C26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	394.086639
ΔH_f, kcal/mol:	-4.07
Dipole, Da:	5.08
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations