Geometry & MOs

Info

ID:	376013
PubChem CID:	134222013
Reduced:	ClNOSF3C23H23 (1)
Stoich.:	ABCDE3F23G23 (1)
Weight, g/mol:	508.093218
ΔH_f, kcal/mol:	-178.21
Dipole, Da:	3.48
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3-chloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[(6-chloropyridin-3-yl)methoxy]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)C(/C=C/C2=CC(=C(C=C2)C(=O)NC3CSC3)C)C(F)(F)F

DOS

IR

Vibrations