Geometry & MOs

Info

ID:

149152

PubChem CID:

53788824

Reduced:

N3O5C24H37 (1)

Stoich.:

A3B5C24D37 (1)

Weight, g/mol:

434.230453

ΔHf, kcal/mol:

-217.84

Dipole, Da:

2.33

IP(EA), eV:

 -9.04(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-hydroxypropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC(CC(C)(C)C(C)C)C(=O)NC2C(OCC2=O)CN3CCCC3

DOS

IR

Vibrations