Geometry & MOs

Info

ID:

388952

PubChem CID:

134990738

Reduced:

IO5H25C28 (1)

Stoich.:

AB5C25D28 (1)

Weight, g/mol:

1785.8545

ΔHf, kcal/mol:

-128.14

Dipole, Da:

3.81

IP(EA), eV:

 -9.54(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[(6R)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-3-N-[(6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-5-[[3-[3-[[(6R)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]carbamoyl]-5-[[(6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]carbamoyl]-2,4,6-triiodo-N-methylanilino]-3-oxopropanoyl]-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2OC1=O)I)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)COCC5=CC=CC=C5

DOS

IR

Vibrations