Geometry & MOs

Info

ID:	357397
PubChem CID:	127294030
Reduced:	SN2O6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	394.119858
ΔH_f, kcal/mol:	-228.05
Dipole, Da:	7.92
IP(EA), eV:	-8.63(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)NC2CCS(=O)(=O)C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations