Geometry & MOs

Info

ID:

449969

PubChem CID:

135302874

Reduced:

ON3C37H75 (1)

Stoich.:

AB3C37D75 (1)

Weight, g/mol:

434.303224

ΔHf, kcal/mol:

-172.35

Dipole, Da:

5.62

IP(EA), eV:

 -8.58(1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(3R,5R,6E,8R,10R,12S,13R,17R)-6-ethylidene-3,7,12-trihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CCC1CCN(CC1)C=O

DOS

IR

Vibrations