Geometry & MOs

Info

ID:	271240
PubChem CID:	103649956
Reduced:	SO2N3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	311.9932
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	2.36
IP(EA), eV:	-9.63(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations