Geometry & MOs

Info

ID:	334763
PubChem CID:	127253438
Reduced:	O11H20C27 (1)
Stoich.:	A11B20C27 (1)
Weight, g/mol:	427.174336
ΔH_f, kcal/mol:	-341.04
Dipole, Da:	3.84
IP(EA), eV:	-8.58(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]-3-(3-hydroxy-4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=C(C4=C3OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)CC(=O)OC)O

DOS

IR

Vibrations