Geometry & MOs

Info

ID:	49704
PubChem CID:	11533604
Reduced:	OC18H24 (2)
Stoich.:	AB18C24 (2)
Weight, g/mol:	512.053288
ΔH_f, kcal/mol:	-75.66
Dipole, Da:	4.01
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC1=C(C(=C([C@@H]([C@H]1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)CCCC)CCCC)CCCC

DOS

IR

Vibrations