Geometry & MOs

Info

ID:

449183

PubChem CID:

135296624

Reduced:

ClN2O4H21C22 (1)

Stoich.:

AB2C4D21E22 (1)

Weight, g/mol:

601.167655

ΔHf, kcal/mol:

-113.57

Dipole, Da:

3.24

IP(EA), eV:

 -8.23(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-acetamido-2-[1-hydroxy-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxysulfonyloxy-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-3-methyloxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=C(C=C2)/C=C/C(=O)NC3=CC4=C(C=C3)OCCO4)NC(=O)CCl

DOS

IR

Vibrations