Geometry & MOs

Info

ID:	320458
PubChem CID:	126661266
Reduced:	NSO2C22H37 (1)
Stoich.:	ABC2D22E37 (1)
Weight, g/mol:	334.093599
ΔH_f, kcal/mol:	-89.98
Dipole, Da:	0.35
IP(EA), eV:	-9.28(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCOC(=O)NCCS

DOS

IR

Vibrations