Geometry & MOs

Info

ID:

168504

PubChem CID:

74979915

Reduced:

N2O33C82H150 (1)

Stoich.:

A2B33C82D150 (1)

Weight, g/mol:

1310.843838

ΔHf, kcal/mol:

-1657.67

Dipole, Da:

8.75

IP(EA), eV:

 -10.0(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]docosanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)NC(=O)C)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

DOS

IR

Vibrations