Geometry & MOs

Info

ID:	239932
PubChem CID:	93167203
Reduced:	FSN2O3C28H31 (1)
Stoich.:	ABC2D3E28F31 (1)
Weight, g/mol:	494.203942
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	3.85
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-fluoro-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)C(C)C)C=CS2)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations