Geometry & MOs

Info

ID:	89890
PubChem CID:	49965245
Reduced:	SN2F3O4H13C17 (1)
Stoich.:	AB2C3D4E13F17 (1)
Weight, g/mol:	424.990691
ΔH_f, kcal/mol:	-238.94
Dipole, Da:	6.57
IP(EA), eV:	-9.44(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-2-[[2-[(5-hydroxy-7-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)SC1=C(C(=CC(=N1)C2=CC=C(O2)C)C(F)(F)F)C#N

DOS

IR

Vibrations