Geometry & MOs

Info

ID:	158806
PubChem CID:	56479327
Reduced:	BrSN3O4C15H20 (1)
Stoich.:	ABC3D4E15F20 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-148.1
Dipole, Da:	2.77
IP(EA), eV:	-9.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CS(=O)(=O)CC2NC(=O)CN3C=C(C=CC3=O)Br

DOS

IR

Vibrations