Geometry & MOs

Info

ID:	327818
PubChem CID:	126691106
Reduced:	SN2F3O3C27H27 (1)
Stoich.:	AB2C3D3E27F27 (1)
Weight, g/mol:	413.196408
ΔH_f, kcal/mol:	-210.29
Dipole, Da:	4.58
IP(EA), eV:	-8.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopropyltriazol-1-yl)methyl]-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations