Geometry & MOs

Info

ID:	54596
PubChem CID:	17388962
Reduced:	BrS2N3O5C23H28 (1)
Stoich.:	AB2C3D5E23F28 (1)
Weight, g/mol:	635.03149
ΔH_f, kcal/mol:	-144.38
Dipole, Da:	4.86
IP(EA), eV:	-8.51(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)CCO.Br

DOS

IR

Vibrations