Geometry & MOs

Info

ID:	406012
PubChem CID:	135076274
Reduced:	FN2S2O4H19C21 (1)
Stoich.:	AB2C2D4E19F21 (1)
Weight, g/mol:	458.188195
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	4.59
IP(EA), eV:	-8.98(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dinaphthalen-1-ylmethyl 3-oxo-5-phenylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(F)S(=O)(=O)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations