Geometry & MOs

Info

ID:

310809

PubChem CID:

126587625

Reduced:

NF2O2C20H23 (1)

Stoich.:

AB2C2D20E23 (1)

Weight, g/mol:

558.407296

ΔHf, kcal/mol:

-171.39

Dipole, Da:

3.16

IP(EA), eV:

 -8.48(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (1R,3aS,5aR,5bR,11aR,13aR)-5a,5b,8,8,11a-pentamethyl-1-(1-methylcyclopropyl)-9-oxo-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)F)NC(=O)CC)C

DOS

IR

Vibrations