Geometry & MOs

Info

ID:

215414

PubChem CID:

85084698

Reduced:

O9C22H37 (2)

Stoich.:

A9B22C37 (2)

Weight, g/mol:

890.52861

ΔHf, kcal/mol:

-802.01

Dipole, Da:

4.45

IP(EA), eV:

 -7.74(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[2-[3-[[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC1CC(C2(C(C1(C)CCC(C)(C=C)OC3C(C(C(C(O3)C)O)O)O)CCC=C2C)C)OC4C(C(C(C(O4)C)OC5C(C(C(C(O5)C)O)O)O)O)OC6C(C(C(C(O6)C)O)O)O

DOS

IR

Vibrations