Geometry & MOs

Info

ID:

232830

PubChem CID:

87577158

Reduced:

BrPN2O7H26C27 (1)

Stoich.:

ABC2D7E26F27 (1)

Weight, g/mol:

487.156577

ΔHf, kcal/mol:

-265.63

Dipole, Da:

6.65

IP(EA), eV:

 -9.52(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[4-oxo-2-[(E)-[2-oxo-5-(thiophen-3-ylmethylideneamino)-1H-indol-3-ylidene]methyl]-1,5,6,7-tetrahydroindol-3-yl]propanoate

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=C1N=CC(=C2)Br)C(=O)OC(CP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations