Geometry & MOs

Info

ID:

181288

PubChem CID:

76727955

Reduced:

ClN3O7C34H42 (1)

Stoich.:

AB3C7D34E42 (1)

Weight, g/mol:

623.276418

ΔHf, kcal/mol:

-241.96

Dipole, Da:

3.07

IP(EA), eV:

 -8.83(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-[2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-8-oxooctanoyl]-methylsulfamic acid

Drug info:

PubChemData

Smile

CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3C2C(CC4=CC5=NN(C=C5CC34C)C6=CC(=CN=C6)O)Cl)O)C)C)OC(=O)CC

DOS

IR

Vibrations