Geometry & MOs

Info

ID:	36068
PubChem CID:	7980720
Reduced:	N2O4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	322.100523
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	4.24
IP(EA), eV:	-8.66(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations