Geometry & MOs

Info

ID:	129350
PubChem CID:	51072338
Reduced:	ClNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	3.63
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CSC1=CC=CC=C1Cl

DOS

IR

Vibrations