Geometry & MOs

Info

ID:

147009

PubChem CID:

53777031

Reduced:

N3O3C14H21 (1)

Stoich.:

A3B3C14D21 (1)

Weight, g/mol:

572.16349

ΔHf, kcal/mol:

-110.27

Dipole, Da:

6.74

IP(EA), eV:

 -9.37(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-iodo-2-[(3S,9S,10R,13R,14R,17R)-3-methoxycarbonyloxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] methyl carbonate

Drug info:

PubChemData

Smile

CNC(=O)[C@@](CCCN)(C(=O)OCC1=CC=CC=C1)N

DOS

IR

Vibrations