Geometry & MOs

Info

ID:	373487
PubChem CID:	131316011
Reduced:	BrNSF2O2H4C9 (1)
Stoich.:	ABCD2E2F4G9 (1)
Weight, g/mol:	282.98441
ΔH_f, kcal/mol:	-55.0
Dipole, Da:	5.45
IP(EA), eV:	-9.6(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-1-methyl-2-oxo-3H-indole-6-carboxylate

Drug info:

PubChemData

Smile

C1=CSC2=CC(=C(C(=C21)[N+](=O)[O-])C(F)F)Br

DOS

IR

Vibrations