Geometry & MOs

Info

ID:	159086
PubChem CID:	57260138
Reduced:	NPSO2C8H19 (1)
Stoich.:	ABCD2E8F19 (1)
Weight, g/mol:	362.110042
ΔH_f, kcal/mol:	-132.69
Dipole, Da:	6.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.765871
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-3-methyl-3-methylsulfanyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CCCC[P+](=O)OC(C(C)(C)S)N

DOS

IR

Vibrations