Geometry & MOs

Info

ID:	320550
PubChem CID:	126661722
Reduced:	SO2N3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	316.103021
ΔH_f, kcal/mol:	10.45
Dipole, Da:	5.73
IP(EA), eV:	-8.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-chloro-3-(4-fluorophenyl)-2-methylphenyl]-3-methylpent-3-en-2-one

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C3=NC(=CS3)C(=O)CCC4=CC=CC=C4N5CCNCC5

DOS

IR

Vibrations