Geometry & MOs

Info

ID:	177599
PubChem CID:	76203429
Reduced:	FSN3O4C10H12 (1)
Stoich.:	ABC3D4E10F12 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-160.9
Dipole, Da:	4.05
IP(EA), eV:	-9.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl-[3-(4-methylphenyl)prop-2-enoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1C(C(NN1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)O

DOS

IR

Vibrations