Geometry & MOs

Info

ID:	43890
PubChem CID:	10321935
Reduced:	SO3C27H54 (1)
Stoich.:	AB3C27D54 (1)
Weight, g/mol:	458.114568
ΔH_f, kcal/mol:	-242.28
Dipole, Da:	3.72
IP(EA), eV:	-9.48(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-oxo-2-(5-oxospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)butanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC[C@H](CO)SC(=O)CCCCCCC

DOS

IR

Vibrations