Geometry & MOs

Info

ID:	182841
PubChem CID:	76944152
Reduced:	ClNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	315.088892
ΔH_f, kcal/mol:	-154.97
Dipole, Da:	4.62
IP(EA), eV:	-9.55(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-[(4-methyl-6-methylsulfanyl-2-oxo-5H-pyrimidine-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=CC(=O)NC(CCOC)C(=O)O)Cl

DOS

IR

Vibrations