Geometry & MOs

Info

ID:	364837
PubChem CID:	127316278
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-67.14
Dipole, Da:	4.13
IP(EA), eV:	-8.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSCCC1CNC(=O)CN2C=CC=NC2=O

DOS

IR

Vibrations