Geometry & MOs

Info

ID:	319956
PubChem CID:	126657672
Reduced:	FNO4H22C28 (1)
Stoich.:	ABC4D22E28 (1)
Weight, g/mol:	572.156833
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	17.21
IP(EA), eV:	-8.24(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)O)C2=C3C=C(C4=CC(=O)C=CC4=C3OC5=C2C=CC(=C5)N(C)C)F

DOS

IR

Vibrations