Geometry & MOs

Info

ID:	89386
PubChem CID:	49961332
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	287.130363
ΔH_f, kcal/mol:	-77.96
Dipole, Da:	4.04
IP(EA), eV:	-9.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations