Geometry & MOs

Info

ID:	239296
PubChem CID:	93166274
Reduced:	ClSN2O3C23H25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	498.11802
ΔH_f, kcal/mol:	-43.69
Dipole, Da:	4.03
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)N(CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3)C5CC5

DOS

IR

Vibrations