Geometry & MOs

Info

ID:

379618

PubChem CID:

134451579

Reduced:

ON2C8H10 (3)

Stoich.:

AB2C8D10 (3)

Weight, g/mol:

360.302831

ΔHf, kcal/mol:

-41.97

Dipole, Da:

4.31

IP(EA), eV:

 -8.73(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8R,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxyhexan-2-yl]-13-methyl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC1(CC1)C(=O)N2CCC(CC2)(CN3C=NC4=C(N(N=C4C3=O)C)C5=CC=C(C=C5)CN)O

DOS

IR

Vibrations