Geometry & MOs

Info

ID:	376009
PubChem CID:	134222009
Reduced:	ClNF7H21C23 (1)
Stoich.:	ABC7D21E23 (1)
Weight, g/mol:	531.020503
ΔH_f, kcal/mol:	-347.77
Dipole, Da:	3.18
IP(EA), eV:	-9.34(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-1,3-thiazol-5-yl)-1-[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC3=C(C=C2)C(CC3)NCCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations