Geometry & MOs

Info

ID:

446810

PubChem CID:

135277889

Reduced:

F2N2O5C21H22 (1)

Stoich.:

A2B2C5D21E22 (1)

Weight, g/mol:

490.155157

ΔHf, kcal/mol:

-264.43

Dipole, Da:

8.73

IP(EA), eV:

 -9.22(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,11aR)-8-[(2,4-difluorophenyl)methylcarbamoyl]-4a-methyl-5,7-dioxo-3,4,11,11a-tetrahydro-2H-pyrano[2,3-g]quinolizin-6-yl] ethyl carbonate

Drug info:

PubChemData

Smile

C[C@@H]1CN2C=C(C(=O)C(=C2C(=O)CCCCO1)O)C(=O)NCC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations