Geometry & MOs

Info

ID:	349275
PubChem CID:	127275062
Reduced:	FSO2N3C18H20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	399.141676
ΔH_f, kcal/mol:	-75.88
Dipole, Da:	3.0
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[2-(2-fluorophenyl)morpholin-4-yl]propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)NC(=O)CN3CCOC(C3)C4=CC=CC=C4F

DOS

IR

Vibrations