Geometry & MOs

Info

ID:	239672
PubChem CID:	93166875
Reduced:	ClSN3O3C27H30 (1)
Stoich.:	ABC3D3E27F30 (1)
Weight, g/mol:	511.169641
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	4.68
IP(EA), eV:	-8.6(-0.51)
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-(4-methylphenyl)-1-propylurea

Drug info:

PubChemData

Smile

CCCN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations