Geometry & MOs

Info

ID:

335183

PubChem CID:

127254044

Reduced:

N2O9H30C34 (1)

Stoich.:

A2B9C30D34 (1)

Weight, g/mol:

488.20597

ΔHf, kcal/mol:

-189.82

Dipole, Da:

3.4

IP(EA), eV:

 -9.3(-1.57)

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-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@@]23C4(CC(N2C(=O)C15C(=C(O3)C6=CC=C(C=C6)OC)C(=O)C(=O)N5C7=CC=CC=C7O)(C)C)C=CC(=O)C=C4

DOS

IR

Vibrations