Geometry & MOs

Info

ID:	274288
PubChem CID:	103808311
Reduced:	BrOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	302.00885
ΔH_f, kcal/mol:	-23.79
Dipole, Da:	2.45
IP(EA), eV:	-9.08(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azetidin-3-yl)-N-[2-(5-bromothiophen-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C(=O)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations