Geometry & MOs

Info

ID:

230481

PubChem CID:

87571018

Reduced:

OF6N6H14C18 (1)

Stoich.:

AB6C6D14E18 (1)

Weight, g/mol:

1255.23127

ΔHf, kcal/mol:

-252.61

Dipole, Da:

4.75

IP(EA), eV:

 -9.1(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8S,9S,10R,13R,14S,17R)-3-[(Z)-1-[(Z)-1-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enoxy]octadec-9-enyl]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=NC=C(N=C32)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)N

DOS

IR

Vibrations