Geometry & MOs

Info

ID:	208506
PubChem CID:	80538640
Reduced:	FNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-174.01
Dipole, Da:	3.57
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)CCSC1=CC=CC=C1F)C(=O)O

DOS

IR

Vibrations