Geometry & MOs

Info

ID:	353385
PubChem CID:	127284761
Reduced:	N2S3O4C15H22 (1)
Stoich.:	A2B3C4D15E22 (1)
Weight, g/mol:	369.172228
ΔH_f, kcal/mol:	-139.99
Dipole, Da:	7.45
IP(EA), eV:	-8.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2CCSC2)C(=O)CNS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations