Geometry & MOs

Info

ID:	320478
PubChem CID:	126661320
Reduced:	NPO2F3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	409.076697
ΔH_f, kcal/mol:	-225.55
Dipole, Da:	3.26
IP(EA), eV:	-9.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-3-(2,4-dichlorophenyl)-2-methylphenyl]-2-methyl-N-propylbut-2-enamide

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C(\C)/C1=CC(=CC(=C1C)C2=CC=C(C=C2)OC(F)(F)P)F)/C

DOS

IR

Vibrations