Geometry & MOs

Info

ID:	258366
PubChem CID:	103153241
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	311.057592
ΔH_f, kcal/mol:	-181.06
Dipole, Da:	3.68
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1)C(=O)NCC(CC(=O)O)OC)C

DOS

IR

Vibrations