Geometry & MOs

Info

ID:	137903
PubChem CID:	52281816
Reduced:	ClN4O4C20H23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	418.140783
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	2.85
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2Cl)NC(=O)C3=COC=C3

DOS

IR

Vibrations