Geometry & MOs

Info

ID:	332266
PubChem CID:	127250552
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	392.164854
ΔH_f, kcal/mol:	-73.92
Dipole, Da:	2.26
IP(EA), eV:	-9.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCCS(=O)(=O)C2=CC=CC=C2)C3=CC=CC(=N3)C4=CNN=C4

DOS

IR

Vibrations