Geometry & MOs

Info

ID:	56309
PubChem CID:	17425053
Reduced:	BrSO2N3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	315.127072
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	7.55
IP(EA), eV:	-8.26(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetylphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations