Geometry & MOs

Info

ID:	204667
PubChem CID:	79995488
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	351.0041
ΔH_f, kcal/mol:	-14.81
Dipole, Da:	3.33
IP(EA), eV:	-8.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC2=NC3=C(O2)C=C(C=C3)N

DOS

IR

Vibrations