Geometry & MOs

Info

ID:	338534
PubChem CID:	127259249
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	205.077265
ΔH_f, kcal/mol:	-128.67
Dipole, Da:	5.11
IP(EA), eV:	-9.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-[(S)-tert-butylsulfinyl]iminoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC/C=N/C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations