Geometry & MOs

Info

ID:	321595
PubChem CID:	126666658
Reduced:	FO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	413.107709
ΔH_f, kcal/mol:	-13.8
Dipole, Da:	1.12
IP(EA), eV:	-9.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)F)CC5=NOC=C5

DOS

IR

Vibrations