Geometry & MOs

Info

ID:	122721
PubChem CID:	50818563
Reduced:	FON4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	455.142739
ΔH_f, kcal/mol:	5.81
Dipole, Da:	2.2
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=NCC2=CN=CC=C2)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations