Geometry & MOs

Info

ID:

443286

PubChem CID:

135258397

Reduced:

NO4C21H37 (1)

Stoich.:

AB4C21D37 (1)

Weight, g/mol:

999.536257

ΔHf, kcal/mol:

-233.68

Dipole, Da:

1.72

IP(EA), eV:

 -9.64(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[(Z)-4-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]pent-3-enoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(CC(C)(C)C1CCC(C1CO)CCOC)CN2C(=O)CCC2=O

DOS

IR

Vibrations