Geometry & MOs

Info

ID:	63173
PubChem CID:	26746574
Reduced:	ClFNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	273.056799
ΔH_f, kcal/mol:	-174.35
Dipole, Da:	4.84
IP(EA), eV:	-9.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H](C)C(=O)NC1=C(C=C(C=C1)Cl)F

DOS

IR

Vibrations