Geometry & MOs

Info

ID:	376195
PubChem CID:	134222201
Reduced:	OSCl2N2F3H21C24 (1)
Stoich.:	ABC2D2E3F21G24 (1)
Weight, g/mol:	500.090166
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	1.93
IP(EA), eV:	-9.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-fluoro-N-[(2,2,2-trifluoroethylamino)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)C)Cl)C(F)(F)F)C(=O)NCC3=CN=C(S3)C

DOS

IR

Vibrations