Geometry & MOs

Info

ID:	338391
PubChem CID:	127259083
Reduced:	NSO5C9H9 (1)
Stoich.:	ABC5D9E9 (1)
Weight, g/mol:	259.015058
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	3.92
IP(EA), eV:	-8.81(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-nitrophenyl)sulfonylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCS(=O)C1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations