Geometry & MOs

Info

ID:	372398
PubChem CID:	131296967
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	282.94802
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	4.36
IP(EA), eV:	-8.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-2,3-dioxo-1H-indole-7-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=C(C(=CS1)CC2CC2)C(=O)O

DOS

IR

Vibrations