Geometry & MOs

Info

ID:

159007

PubChem CID:

57244510

Reduced:

O2C27H36 (1)

Stoich.:

A2B27C36 (1)

Weight, g/mol:

1286.221827

ΔHf, kcal/mol:

-76.33

Dipole, Da:

4.64

IP(EA), eV:

 -8.73(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[11-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-12-octyltetratriacontan-12-yl]-dodecanoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=CC2=C(C=C1)C3=CC=CC=C3C2=O

DOS

IR

Vibrations