Geometry & MOs

Info

ID:

1223

PubChem CID:

4012

Reduced:

N2O17C37H46 (1)

Stoich.:

A2B17C37D46 (1)

Weight, g/mol:

790.279648

ΔHf, kcal/mol:

-695.77

Dipole, Da:

5.71

IP(EA), eV:

 -9.25(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-1-en-2-yloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-methylphenoxy]ethoxy]-4-methylanilino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(CC(=O)OCOC(=C)C)CC(=O)OCOC(=O)C)OCCOC2=C(C=CC(=C2)C)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C

DOS

IR

Vibrations