Geometry & MOs

Info

ID:

181680

PubChem CID:

76773915

Reduced:

N3O3C24H41 (1)

Stoich.:

A3B3C24D41 (1)

Weight, g/mol:

921.814926

ΔHf, kcal/mol:

-146.23

Dipole, Da:

4.55

IP(EA), eV:

 -8.67(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[3-[3-[[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]oxy]propoxy]propoxy]-3-icosa-11,14-dienoxypropyl]morpholine

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(C(=O)C3CCCNC3N2C4CC4)CCCCCCCC(=O)CO

DOS

IR

Vibrations