Geometry & MOs

Info

ID:	160350
PubChem CID:	57309698
Reduced:	ClSN2O4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	391.95633
ΔH_f, kcal/mol:	-122.79
Dipole, Da:	4.5
IP(EA), eV:	-8.65(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(4-chloro-3-nitrophenyl)methylidene]-4-methyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)OCCCC(=O)O)SN(C1=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations