Geometry & MOs

Info

ID:	320558
PubChem CID:	126661730
Reduced:	OSN2H24C25 (1)
Stoich.:	ABC2D24E25 (1)
Weight, g/mol:	375.11567
ΔH_f, kcal/mol:	51.41
Dipole, Da:	5.05
IP(EA), eV:	-8.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1C2=CC=CC=C2CC(=O)C3=CSC(=N3)C4=CC5=CC=CC=C5C4

DOS

IR

Vibrations