Geometry & MOs

Info

ID:	346639
PubChem CID:	127271143
Reduced:	N2S2O5C16H24 (1)
Stoich.:	A2B2C5D16E24 (1)
Weight, g/mol:	311.184506
ΔH_f, kcal/mol:	-188.85
Dipole, Da:	8.22
IP(EA), eV:	-9.38(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[1-(oxolan-2-yl)propan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)C2=CSC(=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations