Geometry & MOs

Info

ID:	239929
PubChem CID:	93167200
Reduced:	SN2O3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	494.203942
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	6.57
IP(EA), eV:	-8.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-fluoro-N-[2-oxo-2-[(4R)-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)C4CC4

DOS

IR

Vibrations