Geometry & MOs

Info

ID:	178757
PubChem CID:	76377450
Reduced:	SN4O4C25H38 (1)
Stoich.:	AB4C4D25E38 (1)
Weight, g/mol:	208.074702
ΔH_f, kcal/mol:	-143.29
Dipole, Da:	5.06
IP(EA), eV:	-7.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7-diol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)NC4C(S3)CCC5C4OCCCO5

DOS

IR

Vibrations