Geometry & MOs

Info

ID:	154583
PubChem CID:	56314049
Reduced:	FSN2O2C21H23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	413.157326
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	4.17
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)[C@@H]1CSCN1C(=O)C2=CC=CC=C2)C3=CC=CC=C3F

DOS

IR

Vibrations