Geometry & MOs

Info

ID:	338390
PubChem CID:	127259082
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	243.020144
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	1.91
IP(EA), eV:	-8.87(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-nitrophenyl)sulfinylmethyl acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2OCOC(=O)C)C=C1

DOS

IR

Vibrations