Geometry & MOs

Info

ID:	375927
PubChem CID:	134221923
Reduced:	OF2N3C5H9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	489.090775
ΔH_f, kcal/mol:	-95.2
Dipole, Da:	1.66
IP(EA), eV:	-10.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]-3-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

C(CN=[N+]=[N-])C(CCO)(F)F

DOS

IR

Vibrations