Geometry & MOs

Info

ID:	398360
PubChem CID:	135032955
Reduced:	ClN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	314.97563
ΔH_f, kcal/mol:	-126.8
Dipole, Da:	3.19
IP(EA), eV:	-9.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-cyano-2-iodo-1-phenylethyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CC2C(=O)NC(=O)NC2=O

DOS

IR

Vibrations