Geometry & MOs

Info

ID:

388976

PubChem CID:

134990790

Reduced:

C5H7 (8)

Stoich.:

A5B7 (8)

Weight, g/mol:

376.189458

ΔHf, kcal/mol:

42.02

Dipole, Da:

3.88

IP(EA), eV:

-8.17(-0.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(8S,9S,10R,13S,14S,17S)-13-ethyl-11-methylidenespiro[1,2,6,7,8,9,10,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane]-17-ol

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C/C=C(\C)/C=C/C=C(\C)/CC#C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C

DOS

IR

Vibrations