Geometry & MOs

Info

ID:

229832

PubChem CID:

87569324

Reduced:

F3N4O5H23C26 (1)

Stoich.:

A3B4C5D23E26 (1)

Weight, g/mol:

1507.6663

ΔHf, kcal/mol:

-227.63

Dipole, Da:

4.25

IP(EA), eV:

 -9.49(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[3-[2,3-dihydroxypropyl-[3-(2,3-dihydroxypropylcarbamoyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-hydroxypropyl]-3-N-hydroxy-5-[(2-hydroxyacetyl)amino]-3-N-(3-hydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CCNC2CC(=O)OC(=O)C(F)(F)F)C3=NOC(=N3)C4=CC(=C(C=C4)OC(C)C)C#N

DOS

IR

Vibrations