Geometry & MOs

Info

ID:	176024
PubChem CID:	75983408
Reduced:	SN2F3O4H23C24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	283.121986
ΔH_f, kcal/mol:	-168.76
Dipole, Da:	8.51
IP(EA), eV:	-9.31(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-acetamido-3-(4-fluorophenyl)-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CCC(C1=CC=CS1)C(C(C2=CC=CC=C2)N(C3=CC=C(C=C3)OC)C(=O)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations