Geometry & MOs

Info

ID:

303658

PubChem CID:

124490014

Reduced:

NO4C10H11 (2)

Stoich.:

AB4C10D11 (2)

Weight, g/mol:

472.209718

ΔHf, kcal/mol:

-307.16

Dipole, Da:

3.88

IP(EA), eV:

 -9.55(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(8R,9R,10R,13S,14R,16S,17R)-17-hydroxy-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]([C@H]([C@@H](C1=NC2=CC=CC=C2N=C1)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations