Geometry & MOs

Info

ID:	157424
PubChem CID:	56424122
Reduced:	SF2N3O3C23H25 (1)
Stoich.:	AB2C3D3E23F25 (1)
Weight, g/mol:	417.152241
ΔH_f, kcal/mol:	-193.03
Dipole, Da:	7.12
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCCC(C(=O)N1CCC2=C(C1)C=CS2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations