Geometry & MOs

Info

ID:	338350
PubChem CID:	127259042
Reduced:	PO2C30H37 (1)
Stoich.:	AB2C30D37 (1)
Weight, g/mol:	276.04563
ΔH_f, kcal/mol:	-45.45
Dipole, Da:	5.55
IP(EA), eV:	-6.96(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-dioxonaphthalen-2-yl)sulfanylethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCCCCCCCC=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations