Geometry & MOs

Info

ID:	162563
PubChem CID:	57395086
Reduced:	ClSO2N4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	299.118238
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	9.9
IP(EA), eV:	-8.0(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-fluorophenyl)triazolo[4,5-b]pyridin-5-yl]morpholine

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations