Geometry & MOs

Info

ID:	122680
PubChem CID:	50817025
Reduced:	FSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	485.128838
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	1.52
IP(EA), eV:	-9.45(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCC(C1)C2=NN=C(S2)C(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations