Geometry & MOs

Info

ID:	361792
PubChem CID:	127304639
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	372.095535
ΔH_f, kcal/mol:	-143.34
Dipole, Da:	6.11
IP(EA), eV:	-8.89(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-3-(1,1-dioxo-1,4-thiazepane-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCN1CCCC1C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations