Geometry & MOs

Info

ID:	10565
PubChem CID:	104459
Reduced:	NSO7C10H11 (1)
Stoich.:	ABC7D10E11 (1)
Weight, g/mol:	289.025623
ΔH_f, kcal/mol:	-188.38
Dipole, Da:	5.01
IP(EA), eV:	-10.5(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonylethyl (4-nitrophenyl) carbonate

Drug info:

PubChemData

Smile

CS(=O)(=O)CCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations