Geometry & MOs

Info

ID:	369372
PubChem CID:	127332734
Reduced:	NS2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-92.2
Dipole, Da:	6.81
IP(EA), eV:	-9.31(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NC3CS(=O)(=O)C4=CC=CC=C34

DOS

IR

Vibrations