Geometry & MOs

Info

ID:

215321

PubChem CID:

85084540

Reduced:

O2N6C41H76 (1)

Stoich.:

A2B6C41D76 (1)

Weight, g/mol:

810.440171

ΔHf, kcal/mol:

-177.48

Dipole, Da:

6.45

IP(EA), eV:

 -8.77(1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(6-carbonoperoxoyl-3,4,5-trihydroxyoxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)NCCCC1CNC2CCCCC2NCCNCCNCCN1)C3CCC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C

DOS

IR

Vibrations