Geometry & MOs

Info

ID:

191651

PubChem CID:

78172959

Reduced:

O4C18H23 (2)

Stoich.:

A4B18C23 (2)

Weight, g/mol:

1303.091601

ΔHf, kcal/mol:

-278.86

Dipole, Da:

9.19

IP(EA), eV:

 -9.53(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-di(hexadecanoyloxy)-3-hydroxyoxan-2-yl] 10-hexadecanoyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

CC1=CCC(CC1)C(=C)C.CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C

DOS

IR

Vibrations