Geometry & MOs

Info

ID:

218514

PubChem CID:

85089555

Reduced:

F2N3O5C24H27 (1)

Stoich.:

A2B3C5D24E27 (1)

Weight, g/mol:

475.20063

ΔHf, kcal/mol:

-274.55

Dipole, Da:

2.71

IP(EA), eV:

 -9.72(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-7-oxa-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-5,14,17-triene-5-carboxylate

Drug info:

PubChemData

Smile

CC(CC(=O)OC)C(=O)NC1CCC(CC1)NC(=O)C2=C(N=CC(=C2)F)OC3=CC=C(C=C3)F

DOS

IR

Vibrations