Geometry & MOs

Info

ID:

220033

PubChem CID:

85165167

Reduced:

O17C27H40 (1)

Stoich.:

A17B27C40 (1)

Weight, g/mol:

636.333021

ΔHf, kcal/mol:

-745.07

Dipole, Da:

3.34

IP(EA), eV:

 -9.76(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[3-acetamido-6-(acetamidomethyl)oxan-2-yl]oxy-5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(C(=O)O)O)(C(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O

DOS

IR

Vibrations