Geometry & MOs

Info

ID:	366253
PubChem CID:	127319710
Reduced:	SN2O4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	331.120192
ΔH_f, kcal/mol:	-176.71
Dipole, Da:	5.45
IP(EA), eV:	-9.41(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=CC=CC=C2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations