Geometry & MOs

Info

ID:

47372

PubChem CID:

10531978

Reduced:

F3N4O9C27H43 (1)

Stoich.:

A3B4C9D27E43 (1)

Weight, g/mol:

624.496505

ΔHf, kcal/mol:

-631.15

Dipole, Da:

12.6

IP(EA), eV:

 -10.1(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-methyl-4-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxyheptadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1CCCC1)C(=O)O)C(=O)CCCC2CC[NH2+]CC2.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations