Geometry & MOs

Info

ID:	124880
PubChem CID:	50901084
Reduced:	F2N2O3C17H24 (1)
Stoich.:	A2B2C3D17E24 (1)
Weight, g/mol:	324.184921
ΔH_f, kcal/mol:	-234.66
Dipole, Da:	3.62
IP(EA), eV:	-9.51(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (5S)-2-acetamido-6-amino-5-(2-fluorophenyl)hexanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(CC[C@H](CN)C1=C(C(=CC=C1)F)F)NC(=O)C

DOS

IR

Vibrations