Geometry & MOs

Info

ID:

392056

PubChem CID:

135012393

Reduced:

ClOC27H45 (1)

Stoich.:

ABC27D45 (1)

Weight, g/mol:

397.261694

ΔHf, kcal/mol:

-114.86

Dipole, Da:

3.56

IP(EA), eV:

 -9.85(0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,10R,13S,14S,17R)-2',10,13-trimethyl-4'-methylidenespiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazole]-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2C[C@H]4[C@@]5(C3(CCC(C5)Cl)C)O4)C

DOS

IR

Vibrations