Geometry & MOs

Info

ID:	376022
PubChem CID:	134222022
Reduced:	BrNCl2F3O3H23C24 (1)
Stoich.:	ABC2D3E3F23G24 (1)
Weight, g/mol:	451.188977
ΔH_f, kcal/mol:	-283.72
Dipole, Da:	5.4
IP(EA), eV:	-9.7(-0.81)
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]-2-methylphenyl]methyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC(=O)OC(C)(C)C)Br)C(F)(F)F

DOS

IR

Vibrations