Geometry & MOs

Info

ID:	213710
PubChem CID:	81064720
Reduced:	ClSN2O3C11H19 (1)
Stoich.:	ABC2D3E11F19 (1)
Weight, g/mol:	239.095771
ΔH_f, kcal/mol:	-121.25
Dipole, Da:	5.76
IP(EA), eV:	-9.27(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CN(C(=C1)CCl)C

DOS

IR

Vibrations