Geometry & MOs

Info

ID:	235385
PubChem CID:	92310318
Reduced:	BrNO2S2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	394.044585
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	2.08
IP(EA), eV:	-9.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(2-ethyl-3-oxo-5-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]phenyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C/C2=CC(=C(C=C2)O)Br)/SC1=S

DOS

IR

Vibrations