Geometry & MOs

Info

ID:	54766
PubChem CID:	17389227
Reduced:	N2S2Br3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	709.02045
ΔH_f, kcal/mol:	64.88
Dipole, Da:	3.7
IP(EA), eV:	-8.91(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(2,5-dichlorophenyl)imino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide

Drug info:

PubChemData

Smile

CN1C(=CSC1=NC2=CC=C(C=C2)Br)C3=CC=C(S3)Br.Br

DOS

IR

Vibrations