Geometry & MOs

Info

ID:	223365
PubChem CID:	85334918
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	258.032872
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	2.47
IP(EA), eV:	-9.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-(chloromethylsulfonyloxy)propanoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(=N2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations