Geometry & MOs

Info

ID:	342358
PubChem CID:	127265181
Reduced:	FN2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	311.072449
ΔH_f, kcal/mol:	-94.37
Dipole, Da:	5.58
IP(EA), eV:	-9.61(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-fluorophenyl)-3-(3-cyclopropylprop-2-enoylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)NC(=O)C=CC2=CC=NC=C2)F

DOS

IR

Vibrations