Geometry & MOs

Info

ID:	329054
PubChem CID:	126730787
Reduced:	S2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	285.105754
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	3.33
IP(EA), eV:	-8.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,6S,8aR)-8a-(4-deuterio-1,3-thiazol-2-yl)-4-(fluoromethyl)-2,6-dimethyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]([C@@](CO1)(C2=NC(=CS2)C)NC(=S)NC(=O)C3=CC=CC=C3)CO

DOS

IR

Vibrations