Geometry & MOs

Info

ID:	62507
PubChem CID:	26719816
Reduced:	ClFOSN2H12C17 (1)
Stoich.:	ABCDE2F12G17 (1)
Weight, g/mol:	329.061885
ΔH_f, kcal/mol:	-25.1
Dipole, Da:	4.47
IP(EA), eV:	-9.18(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-chloro-2H-chromen-3-yl)-N-(3-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations