Geometry & MOs

Info

ID:	62096
PubChem CID:	26717560
Reduced:	NCl2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	325.043648
ΔH_f, kcal/mol:	-140.04
Dipole, Da:	1.9
IP(EA), eV:	-8.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations