Geometry & MOs

Info

ID:	239657
PubChem CID:	93166859
Reduced:	ClSN3O3C23H28 (1)
Stoich.:	ABC3D3E23F28 (1)
Weight, g/mol:	461.153991
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	4.14
IP(EA), eV:	-9.2(-0.45)
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]-1-cyclopropyl-3-propylurea

Drug info:

PubChemData

Smile

CCCNC(=O)N(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C4CC4

DOS

IR

Vibrations