Geometry & MOs

Info

ID:	344213
PubChem CID:	127267389
Reduced:	ClSN3O5C16H20 (1)
Stoich.:	ABC3D5E16F20 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-163.3
Dipole, Da:	5.24
IP(EA), eV:	-9.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzofuran-6-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2)C(=O)C=C

DOS

IR

Vibrations