Geometry & MOs

Info

ID:

21229

PubChem CID:

587726

Reduced:

NO5C33H53 (1)

Stoich.:

AB5C33D53 (1)

Weight, g/mol:

543.392374

ΔHf, kcal/mol:

-308.67

Dipole, Da:

4.1

IP(EA), eV:

 -9.18(0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-[1-(1-acetyl-5-methylpiperidin-2-yl)ethyl]-16-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC1CCC(N(C1)C(=O)C)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC(=O)C)C)C)OC(=O)C

DOS

IR

Vibrations