Geometry & MOs

Info

ID:	274292
PubChem CID:	103808329
Reduced:	BrSN2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	290.00885
ΔH_f, kcal/mol:	-64.14
Dipole, Da:	2.62
IP(EA), eV:	-9.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)NCCC2=CC=C(S2)Br)O

DOS

IR

Vibrations