Geometry & MOs

Info

ID:	54809
PubChem CID:	17389321
Reduced:	BrFO2S2N3H25C31 (1)
Stoich.:	ABC2D2E3F25G31 (1)
Weight, g/mol:	567.81396
ΔH_f, kcal/mol:	17.51
Dipole, Da:	2.3
IP(EA), eV:	-8.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-4-methoxyphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide

Drug info:

PubChemData

Smile

CCC1=C(N=C(S1)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6.Br

DOS

IR

Vibrations