Geometry & MOs

Info

ID:	433538
PubChem CID:	135173677
Reduced:	NC15H25 (2)
Stoich.:	AB15C25 (2)
Weight, g/mol:	440.104208
ΔH_f, kcal/mol:	-5.71
Dipole, Da:	1.7
IP(EA), eV:	-8.25(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylsulfonylphenyl)methoxy]-2-[(5-nitroso-1,3-dihydroisoindol-2-yl)methyl]pyran-4-one

Drug info:

PubChemData

Smile

CC(=C)C1=CC=C(C=C1)C(C)(C)C(C)(C)N2CCC(CC2)C(C)(C)C(C)(C)C3CN(C3)C

DOS

IR

Vibrations