Geometry & MOs

Info

ID:	226669
PubChem CID:	87551004
Reduced:	NPO4C8H22 (2)
Stoich.:	ABC4D8E22 (2)
Weight, g/mol:	538.132921
ΔH_f, kcal/mol:	-410.09
Dipole, Da:	21.04
IP(EA), eV:	-5.42(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-chloro-6-(1-cyclobutylpiperidin-4-yl)oxy-3-phenyl-1-benzofuran-2-carbonyl]thiomorpholine-2,3-dione

Drug info:

PubChemData

Smile

CCCCCC.C[N+](C)(C)CCOP(=O)(O)O.C[N+](C)(C)CCOP(=O)(O)O

DOS

IR

Vibrations