Geometry & MOs

Info

ID:	296958
PubChem CID:	117602826
Reduced:	BrFSN2O3C18H24 (1)
Stoich.:	ABCD2E3F18G24 (1)
Weight, g/mol:	281.00514
ΔH_f, kcal/mol:	-127.51
Dipole, Da:	5.01
IP(EA), eV:	-8.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromopropyl)-5-methyl-1H-indole-2,3-dione

Drug info:

PubChemData

Smile

C1CCOC(C1)ONC(=O)C2(CCSCC2)NCC3=CC(=C(C=C3)Br)F

DOS

IR

Vibrations