Geometry & MOs

Info

ID:

173251

PubChem CID:

75611638

Reduced:

I2N2O4H20C27 (1)

Stoich.:

A2B2C4D20E27 (1)

Weight, g/mol:

659.366947

ΔHf, kcal/mol:

-2.62

Dipole, Da:

8.02

IP(EA), eV:

 -8.47(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-tert-butyl 1-O-[2-(12,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)NC=C3C=C(C=CC3=O)I)NC=C4C=C(C=CC4=O)I)O

DOS

IR

Vibrations