Geometry & MOs

Info

ID:	13768
PubChem CID:	397986
Reduced:	BrNO4H10C13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	322.97932
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	2.47
IP(EA), eV:	-9.44(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)acetate

Drug info:

PubChemData

Smile

CC(=O)N1C2=C(C=C(C=C2)Br)C(=CC(=O)OC)C1=O

DOS

IR

Vibrations