Geometry & MOs

Info

ID:	182261
PubChem CID:	76866566
Reduced:	BrNSO3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	406.149284
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	5.45
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[4-[1-[3-(3-fluorophenyl)prop-2-enoylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

COCCCN(CCOC)C(=O)C=CC1=CC=C(S1)Br

DOS

IR

Vibrations