Geometry & MOs

Info

ID:

319441

PubChem CID:

126656038

Reduced:

ON2H26C41 (1)

Stoich.:

AB2C26D41 (1)

Weight, g/mol:

645.496839

ΔHf, kcal/mol:

166.84

Dipole, Da:

1.59

IP(EA), eV:

 -8.06(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,9R,10R,13R,14R,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] N-[6-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyhexyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=C4C5=CC=CC=C5N(C4=C6C(=C3)C7=CC=CC=C7O6)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations