Geometry & MOs

Info

ID:	338513
PubChem CID:	127259205
Reduced:	SO2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	247.141973
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	1.71
IP(EA), eV:	-8.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=CC=C1)SCC2=CC=CC=C2

DOS

IR

Vibrations