Geometry & MOs

Info

ID:

218148

PubChem CID:

85088952

Reduced:

O7H22C25 (1)

Stoich.:

A7B22C25 (1)

Weight, g/mol:

434.19048

ΔHf, kcal/mol:

-211.84

Dipole, Da:

2.67

IP(EA), eV:

 -9.68(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17-carbonofluoridoyl-9-fluoro-11-hydroxy-10,13-dimethyl-16-methylidene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(C(C(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations