Geometry & MOs

Info

ID:	158419
PubChem CID:	56463612
Reduced:	OSF3N3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	400.15537
ΔH_f, kcal/mol:	-131.25
Dipole, Da:	2.75
IP(EA), eV:	-8.88(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CSC(=N1)C2=CC(=CC=C2)C(F)(F)F)N(C)C3CC3

DOS

IR

Vibrations