Geometry & MOs

Info

ID:

334514

PubChem CID:

127253189

Reduced:

N3O4C23H25 (1)

Stoich.:

A3B4C23D25 (1)

Weight, g/mol:

474.19032

ΔHf, kcal/mol:

-108.72

Dipole, Da:

6.35

IP(EA), eV:

 -9.05(-0.87)

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-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)propanoate

Drug info:

PubChemData

Smile

COCCCNC(=O)CCCN1C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4C1=O

DOS

IR

Vibrations