Geometry & MOs

Info

ID:	130543
PubChem CID:	51091166
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	333.103479
ΔH_f, kcal/mol:	-37.75
Dipole, Da:	7.94
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C=CCN(C1CCS(=O)(=O)C1)C(=O)C2=NN(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations