Geometry & MOs

Info

ID:

441455

PubChem CID:

135234821

Reduced:

N2O4C41H78 (1)

Stoich.:

A2B4C41D78 (1)

Weight, g/mol:

1017.412513

ΔHf, kcal/mol:

-315.21

Dipole, Da:

5.1

IP(EA), eV:

 -8.96(0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(E)-5-acetamido-6-[(Z)-5-acetamido-6-[(E)-5-acetamido-6-[(Z)-5-acetamido-1,4,6,6-tetrahydroxyhex-4-en-3-yl]oxy-1,4,6-trihydroxyhex-4-en-3-yl]oxy-1,4,6-trihydroxyhex-4-en-3-yl]oxy-1,6-dihydroxyhex-4-en-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCC)CCCCCC)CCC#N

DOS

IR

Vibrations