Geometry & MOs

Info

ID:	375883
PubChem CID:	134221877
Reduced:	ClNO3H22C25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	557.07031
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	7.07
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloropyridin-3-yl)-1-[4-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2-ethylphenyl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC3=C2CCN3C(=O)C4=CC=C(C=C4)Cl)C)CC(=O)O

DOS

IR

Vibrations