Geometry & MOs

Info

ID:	396939
PubChem CID:	135029486
Reduced:	NPO4C26H39 (1)
Stoich.:	ABC4D26E39 (1)
Weight, g/mol:	459.253846
ΔH_f, kcal/mol:	-212.68
Dipole, Da:	15.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.970355
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-(1-acetyl-2-oxoindol-3-ylidene)-3-(tributyl-lambda5-phosphanylidene)propanoate

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)C/C(=C/1\C2=CC=CC=C2N(C1=O)C(=O)C)/C(=O)OC

DOS

IR

Vibrations