Geometry & MOs

Info

ID:

328714

PubChem CID:

126726730

Reduced:

NSO4H45C48 (1)

Stoich.:

ABC4D45E48 (1)

Weight, g/mol:

735.24433

ΔHf, kcal/mol:

-61.79

Dipole, Da:

7.27

IP(EA), eV:

 -8.12(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1(C2=C(C=C(C=C2)N3C4CCCC4C5=C3C=CC(=C5)C6=CC(=C(S6)/C=C\7/C(=O)C8=C(C7=O)C(=CC=C8)C(=O)O)C)C9=CC=CC=C91)CCCC

DOS

IR

Vibrations