Geometry & MOs

Info

ID:	334444
PubChem CID:	127252996
Reduced:	ClNO6C21H24 (1)
Stoich.:	ABC6D21E24 (1)
Weight, g/mol:	449.158685
ΔH_f, kcal/mol:	-217.6
Dipole, Da:	3.4
IP(EA), eV:	-8.76(-0.38)
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-(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)NCC4CCCO4

DOS

IR

Vibrations