Geometry & MOs

Info

ID:	187280
PubChem CID:	77553935
Reduced:	NSF3O6C20H20 (1)
Stoich.:	ABC3D6E20F20 (1)
Weight, g/mol:	453.207072
ΔH_f, kcal/mol:	-352.01
Dipole, Da:	11.51
IP(EA), eV:	-9.71(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2-cyclopentyloxy-3-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylpropanamide

Drug info:

PubChemData

Smile

COC1CC(CC1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CN=C3)OC)C(F)(F)F

DOS

IR

Vibrations