Geometry & MOs

Info

ID:	376040
PubChem CID:	134222040
Reduced:	Cl2N2O2F7H19C23 (1)
Stoich.:	A2B2C2D7E19F23 (1)
Weight, g/mol:	503.127519
ΔH_f, kcal/mol:	-416.44
Dipole, Da:	7.35
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2C(CNC(CC(F)(F)F)O)O)C=C1/C=C/C(C3=CC(=C(C(=C3)Cl)F)Cl)C(F)(F)F

DOS

IR

Vibrations