Geometry & MOs

Info

ID:

442387

PubChem CID:

135251765

Reduced:

S2N3O8C51H61 (1)

Stoich.:

A2B3C8D51E61 (1)

Weight, g/mol:

610.383109

ΔHf, kcal/mol:

-241.36

Dipole, Da:

13.87

IP(EA), eV:

 -7.95(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2E,5E)-2,5-bis[(2E)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-(2,2-dimethylpropylsulfinyl)-methylazanium

Drug info:

PubChemData

Smile

CC1(/C(=C\C=C\2/CC/C(=C\C=C\3/C(C4=C(N3CCCCS(=O)(=O)[O-])C=CC5=CC=CC=C54)(C)C)/C2=[N+](\C)/C(=O)OC(C)(C)C)/N(C6=C1C7=CC=CC=C7C=C6)CCCCS(=O)(=O)O)C

DOS

IR

Vibrations