Geometry & MOs

Info

ID:	54814
PubChem CID:	17389334
Reduced:	BrClSO2N3H29C34 (1)
Stoich.:	ABCD2E3F29G34 (1)
Weight, g/mol:	590.91468
ΔH_f, kcal/mol:	47.01
Dipole, Da:	3.93
IP(EA), eV:	-8.46(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodophenyl)-4-(4-pyrrolidin-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)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6.Br

DOS

IR

Vibrations