Geometry & MOs

Info

ID:	51208
PubChem CID:	12013847
Reduced:	FSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	1.93
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,7S,7aS)-2-(4-methoxyanilino)-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-pyrano[3,4-d][1,3]thiazol-7-ol

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@H]([C@H](O1)OCC3=CC=CC=C3)O)SC(=N2)NC4=CC=C(C=C4)F

DOS

IR

Vibrations