Geometry & MOs

Info

ID:	249689
PubChem CID:	103091372
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-201.03
Dipole, Da:	6.48
IP(EA), eV:	-9.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-3-aminobut-1-enyl]-2-chloro-6-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)O)S(=O)(=O)NC2CCC(C2)OC

DOS

IR

Vibrations