Geometry & MOs

Info

ID:	45707
PubChem CID:	10516721
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	6.98
IP(EA), eV:	-8.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hexyl-3,7-dimethoxy-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC1C(=O)C(=S=C(N)NC)C(=O)C2=CC=CC=C2O1

DOS

IR

Vibrations