Geometry & MOs

Info

ID:

328715

PubChem CID:

126726732

Reduced:

NSO4H37C49 (1)

Stoich.:

ABC4D37E49 (1)

Weight, g/mol:

781.286195

ΔHf, kcal/mol:

29.62

Dipole, Da:

6.69

IP(EA), eV:

 -8.06(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C2=CC3=C(C=C2)N(C4C3CCC4)C5=CC=C(C=C5)C=C(C6=CC=CC=C6)C7=CC=CC=C7)/C=C/C=C\8/C(=O)C9=C(C8=O)C(=CC=C9)C(=O)O

DOS

IR

Vibrations