Geometry & MOs

Info

ID:

378647

PubChem CID:

134224741

Reduced:

O2S2N3C11H19 (1)

Stoich.:

A2B2C3D11E19 (1)

Weight, g/mol:

1268.954804

ΔHf, kcal/mol:

-62.27

Dipole, Da:

4.96

IP(EA), eV:

-8.2(0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2-hexadecanoyloxy-3-[hydroxy-[2-[2,3,5-triamino-6-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]-2H-pyridin-1-yl]ethoxy]phosphoryl]oxypropyl] hexadecanoate

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N1CCC2=C(C1)C(=NN2)SC

DOS

IR

Vibrations