Geometry & MOs

Info

ID:

224073

PubChem CID:

85337871

Reduced:

N3O3C14H22 (2)

Stoich.:

A3B3C14D22 (2)

Weight, g/mol:

556.44916

ΔHf, kcal/mol:

-217.59

Dipole, Da:

8.4

IP(EA), eV:

 -7.85(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-O-[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-O-methyl hexanedioate

Drug info:

PubChemData

Smile

CCCCC(C(=O)C(=O)NC1CCNN1)NC(=O)OC(C2=NC3=C(C=CC(=C3N2C)OCC)OCC)C(C)(C)C

DOS

IR

Vibrations