Geometry & MOs

Info

ID:	274289
PubChem CID:	103808313
Reduced:	BrOSN2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	352.0245
ΔH_f, kcal/mol:	-4.78
Dipole, Da:	3.26
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-phenylpropanamide

Drug info:

PubChemData

Smile

C1C(CN1)CC(=O)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations