Geometry & MOs

Info

ID:

175881

PubChem CID:

75965017

Reduced:

O2F3N6C20H21 (1)

Stoich.:

A2B3C6D20E21 (1)

Weight, g/mol:

598.42334

ΔHf, kcal/mol:

-143.82

Dipole, Da:

6.78

IP(EA), eV:

 -9.03(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyloxy-6-[[10,13-dimethyl-17-(6-methylhept-2-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)C2=NC3=CC=NC(=O)C3C(=N2)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations