Geometry & MOs

Info

ID:	51204
PubChem CID:	12013842
Reduced:	FSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	-100.15
Dipole, Da:	2.16
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6S,7R,7aR)-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