Geometry & MOs

Info

ID:

328718

PubChem CID:

126726769

Reduced:

NSO6H35C48 (1)

Stoich.:

ABC6D35E48 (1)

Weight, g/mol:

587.209658

ΔHf, kcal/mol:

-37.23

Dipole, Da:

10.21

IP(EA), eV:

 -8.04(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[[1-[4-(2,2-diphenylethenyl)phenyl]-2-methyl-2,3-dihydroindol-5-yl]methylidene]-1,3-dioxoindene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(C1)N(C3=C2C=C(C=C3)C4=C5C(=C(S4)/C=C/6\C(=O)C7=C(C6=O)C=C(C=C7)C(=O)O)OCCO5)C8=CC=C(C=C8)C=C(C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations