Geometry & MOs

Info

ID:

333993

PubChem CID:

127252545

Reduced:

ClN5O5H24C29 (1)

Stoich.:

AB5C5D24E29 (1)

Weight, g/mol:

492.164499

ΔHf, kcal/mol:

-51.93

Dipole, Da:

4.1

IP(EA), eV:

 -8.68(-1.03)

Spin(Sz, 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-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=C(C=C4)C5=NNC(=N5)C6=CC=CC=N6

DOS

IR

Vibrations