Geometry & MOs

Info

ID:	398318
PubChem CID:	135032800
Reduced:	ClNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	394.00659
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	2.41
IP(EA), eV:	-10.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2-iodo-3-oxo-1,3-diphenylpropyl] acetate

Drug info:

PubChemData

Smile

CCC1(C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)C)C

DOS

IR

Vibrations