Geometry & MOs

Info

ID:	54819
PubChem CID:	17389341
Reduced:	BrSN3O4H32C35 (1)
Stoich.:	ABC3D4E32F35 (1)
Weight, g/mol:	539.05481
ΔH_f, kcal/mol:	-52.58
Dipole, Da:	6.35
IP(EA), eV:	-7.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations