Geometry & MOs

Info

ID:	338450
PubChem CID:	127259142
Reduced:	NSO6H13C15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	255.056529
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	4.14
IP(EA), eV:	-9.9(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)sulfanylpropan-2-yl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations