Geometry & MOs

Info

ID:	239348
PubChem CID:	93166345
Reduced:	SCl2N2O3C26H26 (1)
Stoich.:	AB2C2D3E26F26 (1)
Weight, g/mol:	514.14932
ΔH_f, kcal/mol:	-71.9
Dipole, Da:	7.07
IP(EA), eV:	-8.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations