Geometry & MOs

Info

ID:	288825
PubChem CID:	104326481
Reduced:	FN2O2S2H11C14 (1)
Stoich.:	AB2C2D2E11F14 (1)
Weight, g/mol:	298.132885
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	4.26
IP(EA), eV:	-8.87(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethoxy-3-fluorophenyl)carbamoyl-ethylamino]propanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)NC2=S)F

DOS

IR

Vibrations