Geometry & MOs

Info

ID:	315099
PubChem CID:	126624426
Reduced:	SF2N6O8C28H30 (1)
Stoich.:	AB2C6D8E28F30 (1)
Weight, g/mol:	374.118795
ΔH_f, kcal/mol:	-283.18
Dipole, Da:	4.34
IP(EA), eV:	-9.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-8a-(hydroxymethyl)-2-phenyl-6-phenylsulfanyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=CN(N=N2)C3[C@@H](C(OC(C3O)CO)SC4C(C(C(C(O4)CO)O)N5C=C(N=N5)C6=CC(=CC=C6)F)O)O

DOS

IR

Vibrations