Geometry & MOs

Info

ID:	338448
PubChem CID:	127259140
Reduced:	N2O5H8C9 (1)
Stoich.:	A2B5C8D9 (1)
Weight, g/mol:	285.067094
ΔH_f, kcal/mol:	-113.35
Dipole, Da:	8.76
IP(EA), eV:	-9.98(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-1-(4-nitrophenyl)sulfinylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations