Geometry & MOs

Info

ID:

232072

PubChem CID:

87575377

Reduced:

SCl2N4O5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

442.119858

ΔHf, kcal/mol:

-165.51

Dipole, Da:

8.15

IP(EA), eV:

 -8.56(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[(E)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)CCC1=C(NC2=C1C(=O)CCC2)/C=C/3\C4=C(C=CC(=C4)S(=O)(=O)CC5=C(C=CC=C5Cl)Cl)NC3=O

DOS

IR

Vibrations