Geometry & MOs

Info

ID:	403622
PubChem CID:	135061069
Reduced:	N2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	525.160994
ΔH_f, kcal/mol:	49.48
Dipole, Da:	4.35
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4'R)-2-(4-methylphenyl)sulfonyl-4'-naphthalen-2-ylspiro[1H-isoindole-3,2'-3,4-dihydropyran]-6'-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=C(NC2=C1C=NC=C2)C3=CC=CC=C3

DOS

IR

Vibrations