Geometry & MOs

Info

ID:	54759
PubChem CID:	17389213
Reduced:	BrClON2S2F3H17C18 (1)
Stoich.:	ABCD2E2F3G17H18 (1)
Weight, g/mol:	604.96678
ΔH_f, kcal/mol:	-158.55
Dipole, Da:	4.6
IP(EA), eV:	-8.32(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(5-chlorothiophen-2-yl)-2-naphthalen-1-ylimino-1,3-thiazol-3-yl]ethyl]benzenesulfonamide;hydrobromide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N=C2N(C(=CS2)C3=CC=C(S3)Cl)CCCCO)C(F)(F)F.Br

DOS

IR

Vibrations