Geometry & MOs

Info

ID:	333967
PubChem CID:	127252519
Reduced:	O9H22C28 (1)
Stoich.:	A9B22C28 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-264.54
Dipole, Da:	7.43
IP(EA), eV:	-8.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=CC4=C3C(CC(=O)O4)C5=CC6=C(C=C5)OCCO6)O)OC

DOS

IR

Vibrations