Geometry & MOs

Info

ID:	375708
PubChem CID:	134220887
Reduced:	NCl2O2S2F3H12C19 (1)
Stoich.:	AB2C2D2E3F12G19 (1)
Weight, g/mol:	403.030155
ΔH_f, kcal/mol:	-200.74
Dipole, Da:	6.13
IP(EA), eV:	-9.51(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5,8-difluoro-2-[[5-(trifluoromethyl)furan-2-yl]methylsulfanyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)Cl)SCC3=CC=C(C=C3)SC(F)(F)F

DOS

IR

Vibrations