Geometry & MOs

Info

ID:	374421
PubChem CID:	131328984
Reduced:	BrSN3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	282.97788
ΔH_f, kcal/mol:	47.42
Dipole, Da:	4.99
IP(EA), eV:	-8.99(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromopyridin-3-yl)-4-ethyl-1,3-thiazol-5-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=C(N=CC=C2)Br)CNC

DOS

IR

Vibrations