Geometry & MOs

Info

ID:	51203
PubChem CID:	12013841
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	374.110042
ΔH_f, kcal/mol:	-53.32
Dipole, Da:	0.75
IP(EA), eV:	-8.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6S,7R,7aR)-2-(4-fluoroanilino)-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=CC=C4

DOS

IR

Vibrations