Geometry & MOs

Info

ID:	416539
PubChem CID:	135089590
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	321.094726
ΔH_f, kcal/mol:	-80.07
Dipole, Da:	5.96
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[3-oxo-3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]benzamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CC3=CC4=CC=CC=C4C=C3)O

DOS

IR

Vibrations