Geometry & MOs

Info

ID:	54603
PubChem CID:	17388971
Reduced:	BrClS2N3O4C29H33 (1)
Stoich.:	ABC2D3E4F29G33 (1)
Weight, g/mol:	633.05222
ΔH_f, kcal/mol:	-93.47
Dipole, Da:	3.65
IP(EA), eV:	-8.31(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=NC3=CC(=CC=C3)Cl)N2CCC4=CC(=C(C=C4)OC)OC.Br

DOS

IR

Vibrations