Geometry & MOs

Info

ID:

220143

PubChem CID:

85165291

Reduced:

NO11C36H37 (1)

Stoich.:

AB11C36D37 (1)

Weight, g/mol:

659.337772

ΔHf, kcal/mol:

-354.18

Dipole, Da:

5.54

IP(EA), eV:

 -8.9(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetamido-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[1-(dipropylcarbamoyloxy)-2,3-dihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NC(COC(=O)C2=CC(=CC(=C2)OC)OC)C(C3=CC=CC=C3)OC(=O)C4=CC(=CC(=C4)OC)OC)OC

DOS

IR

Vibrations