Geometry & MOs

Info

ID:	258375
PubChem CID:	103153306
Reduced:	FN2O6C12H13 (1)
Stoich.:	AB2C6D12E13 (1)
Weight, g/mol:	313.073242
ΔH_f, kcal/mol:	-205.8
Dipole, Da:	7.69
IP(EA), eV:	-10.51(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations