Geometry & MOs

Info

ID:	295641
PubChem CID:	117541098
Reduced:	BrSN2C9H15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	311.9932
ΔH_f, kcal/mol:	14.02
Dipole, Da:	2.56
IP(EA), eV:	-8.59(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[2-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCCCC1=C(SC(=N1)NC)Br

DOS

IR

Vibrations