Geometry & MOs

Info

ID:

147327

PubChem CID:

53786983

Reduced:

SO2C29H34 (1)

Stoich.:

AB2C29D34 (1)

Weight, g/mol:

856.360298

ΔHf, kcal/mol:

-43.83

Dipole, Da:

3.4

IP(EA), eV:

 -8.57(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-(imidazole-1-carbonyloxy)-4-[4-[4-(imidazole-1-carbonyloxy)-2-[2-(imidazole-1-carbonyloxy)propyl]pentoxy]carbonyloxypentan-2-yloxycarbonyloxymethyl]heptan-2-yl] imidazole-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC=CC(=O)OC1=CC=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC

DOS

IR

Vibrations