Geometry & MOs

Info

ID:	338367
PubChem CID:	127259059
Reduced:	NSO6H13C14 (1)
Stoich.:	ABC6D13E14 (1)
Weight, g/mol:	291.056529
ΔH_f, kcal/mol:	-133.53
Dipole, Da:	6.19
IP(EA), eV:	-9.85(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-nitronaphthalen-2-yl)sulfanylethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCS(=O)(=O)C1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]

DOS

IR

Vibrations