Geometry & MOs

Info

ID:

16009

PubChem CID:

457801

Reduced:

OC29H50 (1)

Stoich.:

AB29C50 (1)

Weight, g/mol:

414.386166

ΔHf, kcal/mol:

-134.74

Dipole, Da:

2.34

IP(EA), eV:

 -9.11(1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

DOS

IR

Vibrations