Geometry & MOs

Info

ID:	331023
PubChem CID:	127248430
Reduced:	FSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	441.152241
ΔH_f, kcal/mol:	-95.92
Dipole, Da:	4.35
IP(EA), eV:	-9.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations