Geometry & MOs

Info

ID:

44927

PubChem CID:

10506603

Reduced:

N5O9C24H37 (1)

Stoich.:

A5B9C24D37 (1)

Weight, g/mol:

539.361074

ΔHf, kcal/mol:

-277.24

Dipole, Da:

8.3

IP(EA), eV:

 -9.23(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4R,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(3S)-1-acetyl-3-methyl-3,4-dihydro-2H-pyridin-6-yl]ethyl]-4-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C1COCCOCCN2CCOCCOCCN1CC(=O)NCC3=CC(=CC(=C3O)CNC(=O)C2)[N+](=O)[O-]

DOS

IR

Vibrations