Geometry & MOs

Info

ID:	122722
PubChem CID:	50818627
Reduced:	FSO3N5C22H22 (1)
Stoich.:	ABC3D5E22F22 (1)
Weight, g/mol:	469.158389
ΔH_f, kcal/mol:	-71.04
Dipole, Da:	2.83
IP(EA), eV:	-8.58(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)N2CCC(CC2)C3=NN=C(S3)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations