Geometry & MOs

Info

ID:	338439
PubChem CID:	127259131
Reduced:	INO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	248.050715
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	5.03
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-sulfanylnaphthalen-1-yl)oxymethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=O)NC1=CC=C(C=C1)I

DOS

IR

Vibrations