Geometry & MOs

Info

ID:

52777

PubChem CID:

12015941

Reduced:

NPO5C7H12 (1)

Stoich.:

ABC5D7E12 (1)

Weight, g/mol:

968.674135

ΔHf, kcal/mol:

-257.12

Dipole, Da:

3.63

IP(EA), eV:

 -10.42(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxyoxan-2-yl]methyl 13-methyltetradecanoate

Drug info:

PubChemData

Smile

C1C[C@@]([C@@H]2[C@H]1[C@H]2P(=O)(O)O)(C(=O)O)N

DOS

IR

Vibrations