Geometry & MOs

Info

ID:	159935
PubChem CID:	57298709
Reduced:	NSO5H15C16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	534.88309
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	2.91
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dibromo-3-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-4-methyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(COS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)N=O

DOS

IR

Vibrations