Geometry & MOs

Info

ID:	77557
PubChem CID:	49655434
Reduced:	SN2F3O4C18H19 (1)
Stoich.:	AB2C3D4E18F19 (1)
Weight, g/mol:	353.106336
ΔH_f, kcal/mol:	-304.65
Dipole, Da:	5.79
IP(EA), eV:	-9.66(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)OC(F)(F)F)C

DOS

IR

Vibrations