Geometry & MOs

Info

ID:

402523

PubChem CID:

135056282

Reduced:

OC10H14 (2)

Stoich.:

AB10C14 (2)

Weight, g/mol:

346.250795

ΔHf, kcal/mol:

-44.12

Dipole, Da:

5.75

IP(EA), eV:

 -9.01(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate

Drug info:

PubChemData

Smile

CC[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C

DOS

IR

Vibrations