Geometry & MOs

Info

ID:	132394
PubChem CID:	51356189
Reduced:	FNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	344.989628
ΔH_f, kcal/mol:	-156.9
Dipole, Da:	3.76
IP(EA), eV:	-9.2(1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-chlorophenyl)-4-(methylsulfonylmethyl)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CNC[C@H]([C@@H]1O)O)F

DOS

IR

Vibrations