Geometry & MOs

Info

ID:	218558
PubChem CID:	85089618
Reduced:	F2O5H26C28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	480.133063
ΔH_f, kcal/mol:	-261.57
Dipole, Da:	4.74
IP(EA), eV:	-9.52(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)-6H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)C3=C(C=C(C(=C3)C)F)F)OC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations