Geometry & MOs

Info

ID:	432435
PubChem CID:	135172568
Reduced:	F3O4C19H24 (2)
Stoich.:	A3B4C19D24 (2)
Weight, g/mol:	454.061041
ΔH_f, kcal/mol:	-654.56
Dipole, Da:	6.53
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-6-[[2-hydroxysulfanyl-5-(trifluoromethoxy)phenyl]methoxy]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=C(C=C1)CCCCCCC(F)(F)F)C2=C(C=CC(=C2)OCCOC(=O)C(=C)CO)CCCCCCC(F)(F)F

DOS

IR

Vibrations