Geometry & MOs

Info

ID:	190517
PubChem CID:	78015062
Reduced:	ClO8C23H25 (1)
Stoich.:	AB8C23D25 (1)
Weight, g/mol:	300.075548
ΔH_f, kcal/mol:	-256.23
Dipole, Da:	2.92
IP(EA), eV:	-9.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-5-(2,2,2-trifluoro-1-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(C(C(O1)C(=O)OC)OCl)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations