Geometry & MOs

Info

ID:	376160
PubChem CID:	134222164
Reduced:	NOF2Cl3H20C22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	499.152591
ΔH_f, kcal/mol:	-135.04
Dipole, Da:	3.67
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC2=C(C=C1)C(CC2)NC(=O)CC(F)F)C3=CC(=C(C(=C3)Cl)Cl)Cl

DOS

IR

Vibrations