Geometry & MOs

Info

ID:	140053
PubChem CID:	52637386
Reduced:	FOCl2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	397.088099
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	3.82
IP(EA), eV:	-9.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(C=C(C=C2)Cl)Cl)C)CC(=O)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations