Geometry & MOs

Info

ID:	239668
PubChem CID:	93166871
Reduced:	ClSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	449.153991
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	4.58
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-ethyl-1-propylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations