Geometry & MOs

Info

ID:	54750
PubChem CID:	17389202
Reduced:	BrOSN2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	612.98943
ΔH_f, kcal/mol:	6.89
Dipole, Da:	2.74
IP(EA), eV:	-8.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=NC(=CS2)C3=CC(=CC=C3)OC)C.Br

DOS

IR

Vibrations