Geometry & MOs

Info

ID:	54817
PubChem CID:	17389337
Reduced:	BrO2S2F3N3C20H21 (1)
Stoich.:	AB2C2D3E3F20G21 (1)
Weight, g/mol:	509.04425
ΔH_f, kcal/mol:	-192.22
Dipole, Da:	10.94
IP(EA), eV:	-9.07(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC(=C3)C(F)(F)F.Br

DOS

IR

Vibrations