Geometry & MOs

Info

ID:	158805
PubChem CID:	56479323
Reduced:	SN2O5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	417.03579
ΔH_f, kcal/mol:	-165.97
Dipole, Da:	5.82
IP(EA), eV:	-9.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-oxopyridin-1-yl)-N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3CS(=O)(=O)CC3N4CCCC4)C

DOS

IR

Vibrations