Geometry & MOs

Info

ID:

307700

PubChem CID:

125308226

Reduced:

NO10H23C30 (1)

Stoich.:

AB10C23D30 (1)

Weight, g/mol:

426.217126

ΔHf, kcal/mol:

-284.25

Dipole, Da:

4.99

IP(EA), eV:

 -9.01(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8S,9R,10R,13S,14R,16S,17S)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

COC(=O)C[C@H]([C@@H]1C=C2C=C3C(=CC2=NC1=O)OCCO3)C4=C5C(=C(C(=C4O)O)O)C(=O)C=C(O5)C6=CC=CC=C6

DOS

IR

Vibrations