Geometry & MOs

Info

ID:	51207
PubChem CID:	12013846
Reduced:	ClSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	374.110042
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	3.39
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,7S,7aS)-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=C(C=C4)Cl

DOS

IR

Vibrations