Geometry & MOs

Info

ID:

180905

PubChem CID:

76702076

Reduced:

OC37H64 (1)

Stoich.:

AB37C64 (1)

Weight, g/mol:

687.449889

ΔHf, kcal/mol:

-93.45

Dipole, Da:

1.93

IP(EA), eV:

 -9.43(1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-3a-(3-pyridin-3-ylpropanoyl)-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCC=CCCCCCC(CCCCCC=CCC=CCC=CCCCCC)O

DOS

IR

Vibrations