Geometry & MOs

Info

ID:	334474
PubChem CID:	127253149
Reduced:	ClN3O5H24C25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	479.16925
ΔH_f, kcal/mol:	-114.84
Dipole, Da:	1.13
IP(EA), eV:	-8.8(-0.68)
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-(6-methoxy-4-oxochromen-3-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4=CN5C=CC=CC5=N4

DOS

IR

Vibrations