Geometry & MOs

Info

ID:

175872

PubChem CID:

75963611

Reduced:

O17C141H264 (1)

Stoich.:

A17B141C264 (1)

Weight, g/mol:

2188.935762

ΔHf, kcal/mol:

-1284.62

Dipole, Da:

1.3

IP(EA), eV:

 -9.89(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-hydroxy-6-[5-hydroxy-6-[(3-hydroxy-2,4,6-trimethyltetracosanoyl)oxymethyl]-3-octadecanoyloxy-4-(2,4,6-trimethylpentacos-2-enoyloxy)oxan-2-yl]oxy-2-(hydroxymethyl)-5-(2,4,6-trimethyldocos-2-enoyloxy)oxan-3-yl] 2,4,6-trimethylpentacos-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(C)CC(C)C=C(C)C(=O)OC1C(C(C(OC1OC2C(C(C(C(O2)COC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)C)O)OC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCCC)C)OC(=O)CCCCCCCCCCCCCCCCC)CO)OC(=O)C(C)C(C(C)CC(C)CCCCCCCCCCCCCCCCCC)O)O

DOS

IR

Vibrations