Geometry & MOs

Info

ID:	213637
PubChem CID:	81064465
Reduced:	NSF3O3C13H14 (1)
Stoich.:	ABC3D3E13F14 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-279.87
Dipole, Da:	3.03
IP(EA), eV:	-9.97(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CC=C1SC(F)(F)F

DOS

IR

Vibrations