Geometry & MOs

Info

ID:

170355

PubChem CID:

75220300

Reduced:

CuO2N4H26C28 (1)

Stoich.:

AB2C4D26E28 (1)

Weight, g/mol:

652.579446

ΔHf, kcal/mol:

110.71

Dipole, Da:

3.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.912972

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=NN=CC4=CC=CC=C4[O-])[O-].[Cu+2]

DOS

IR

Vibrations