Geometry & MOs

Info

ID:	208505
PubChem CID:	80538448
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	299.099143
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	5.89
IP(EA), eV:	-8.63(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-fluorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1CCOC2=CC=CC=C12)C(=O)O

DOS

IR

Vibrations