Geometry & MOs

Info

ID:	241093
PubChem CID:	93621794
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	314.019513
ΔH_f, kcal/mol:	-2.17
Dipole, Da:	1.86
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC(=C1)C#C)C(=O)C[C@H]2CCC=C2

DOS

IR

Vibrations