Geometry & MOs

Info

ID:	164096
PubChem CID:	74381960
Reduced:	FN4O6C23H25 (1)
Stoich.:	AB4C6D23E25 (1)
Weight, g/mol:	565.145361
ΔH_f, kcal/mol:	-227.73
Dipole, Da:	4.28
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[3-[4-oxo-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)spiro[3H-thiochromene-2,4'-piperidine]-1'-carbonyl]-1-benzothiophen-2-yl]urea

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)NOC(=O)CCCN)F

DOS

IR

Vibrations