Geometry & MOs

Info

ID:

328717

PubChem CID:

126726763

Reduced:

NS2O4H39C51 (1)

Stoich.:

AB2C4D39E51 (1)

Weight, g/mol:

753.218509

ΔHf, kcal/mol:

1.13

Dipole, Da:

7.32

IP(EA), eV:

 -8.0(-1.61)

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]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]methylidene]-1,3-dioxoindene-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C2=C(C=C(S2)C3=CC4=C(C5=CC=CC=C53)N(C6C4CCC6)C7=CC8=C(C=C7)C(C9=CC=CC=C98)(C)C)C)/C=C/1\C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

DOS

IR

Vibrations