Geometry & MOs

Info

ID:	33923
PubChem CID:	7888822
Reduced:	FNO3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	381.071802
ΔH_f, kcal/mol:	-113.43
Dipole, Da:	5.71
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations