Geometry & MOs

Info

ID:	282240
PubChem CID:	103919832
Reduced:	F2N2O4C11H12 (1)
Stoich.:	A2B2C4D11E12 (1)
Weight, g/mol:	244.088164
ΔH_f, kcal/mol:	-170.53
Dipole, Da:	3.54
IP(EA), eV:	-10.22(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations