Geometry & MOs

Info

ID:	177689
PubChem CID:	76216817
Reduced:	N3O7C35H41 (1)
Stoich.:	A3B7C35D41 (1)
Weight, g/mol:	279.029835
ΔH_f, kcal/mol:	-244.79
Dipole, Da:	9.81
IP(EA), eV:	-8.57(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2,3-dioxoindol-1-yl)-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)C5=CC=CC(=C5)CCCN6CCCCC6

DOS

IR

Vibrations