Geometry & MOs

Info

ID:

328713

PubChem CID:

126726726

Reduced:

NSO4H35C50 (1)

Stoich.:

ABC4D35E50 (1)

Weight, g/mol:

731.30693

ΔHf, kcal/mol:

47.83

Dipole, Da:

8.92

IP(EA), eV:

 -8.17(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(C1)N(C3=C2C=C(C4=CC=CC=C43)C5=CC=C(S5)/C=C/6\C(=O)C7=C(C6=O)C=C(C=C7)C(=O)O)C8=CC=C(C=C8)C=C(C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations