Geometry & MOs

Info

ID:

214887

PubChem CID:

85083803

Reduced:

N5O8C32H51 (1)

Stoich.:

A5B8C32D51 (1)

Weight, g/mol:

633.460453

ΔHf, kcal/mol:

-251.33

Dipole, Da:

8.32

IP(EA), eV:

 -7.96(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-O-[(3,4,5-trihydroxypiperidin-2-yl)methyl] butanedioate

Drug info:

PubChemData

Smile

COCCOCCOC1=CC=CC(=C1O)C2NCCN2CCNCCNCCNC=C3C=CC=C(C3=O)OCCOCCOC

DOS

IR

Vibrations