Geometry & MOs

Info

ID:	175731
PubChem CID:	75942235
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	439.159515
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	2.21
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-methoxyphenoxy)-N-[1,2-bis(3-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3OC)CN4CCSCC4

DOS

IR

Vibrations