Geometry & MOs

Info

ID:	279926
PubChem CID:	103845742
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	288.069927
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	3.46
IP(EA), eV:	-9.47(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(C(=O)NCCC2=CC=C(S2)Br)N

DOS

IR

Vibrations