Geometry & MOs

Info

ID:

432854

PubChem CID:

135172991

Reduced:

N2O6H27C31 (2)

Stoich.:

A2B6C27D31 (2)

Weight, g/mol:

624.189651

ΔHf, kcal/mol:

-279.65

Dipole, Da:

15.47

IP(EA), eV:

 -9.02(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-methylidene-1-[[4-[4-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]phenoxy]phenyl]methyl]spiro[indole-3,5'-oxolane]-2,2'-dione

Drug info:

PubChemData

Smile

C=C1CC2(C3=CC=CC=C3N(C2=O)CCC/C=C\CCN4C5=CC=CC=C5C6(C4=O)C/C(=C/C7=C8C(=CC=C7)C9(CC(=C)C(=O)O9)C(=O)N8CC/C=C/CCCN2C3=CC=CC=C3C3(C2=O)CC(=C)C(=O)O3)/C(=O)O6)OC1=O

DOS

IR

Vibrations