Geometry & MOs

Info

ID:	398183
PubChem CID:	135032181
Reduced:	N2O2F3H15C21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	367.054815
ΔH_f, kcal/mol:	-152.58
Dipole, Da:	3.55
IP(EA), eV:	-9.02(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(1,3-dioxoisoindol-2-yl)-1-ethoxycarbothioylsulfanylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](N2C(=CC=C2C(=O)C(F)(F)F)C3=CC=CC=C31)C4=CC=CC=C4

DOS

IR

Vibrations