Geometry & MOs

Info

ID:	197975
PubChem CID:	79025047
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	253.122655
ΔH_f, kcal/mol:	-103.83
Dipole, Da:	1.68
IP(EA), eV:	-8.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-acetamido-2-fluorophenyl)-2-aminobutanamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)N

DOS

IR

Vibrations