Geometry & MOs

Info

ID:	54815
PubChem CID:	17389335
Reduced:	BrIO2S2N3C19H19 (1)
Stoich.:	ABC2D2E3F19G19 (1)
Weight, g/mol:	606.90959
ΔH_f, kcal/mol:	-3.34
Dipole, Da:	6.12
IP(EA), eV:	-8.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodophenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)I.Br

DOS

IR

Vibrations