Geometry & MOs

Info

ID:	433463
PubChem CID:	135173600
Reduced:	NO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	394.135114
ΔH_f, kcal/mol:	-192.47
Dipole, Da:	6.85
IP(EA), eV:	-9.7(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dihydroisoindol-2-ylmethyl)-5-[[4-(methylsulfinimidoyl)phenyl]methoxy]pyran-4-one

Drug info:

PubChemData

Smile

CCC(=O)NC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)OCCOCC3=CC=CC=C3

DOS

IR

Vibrations