Geometry & MOs

Info

ID:	239673
PubChem CID:	93166876
Reduced:	ClSN3O3C27H30 (1)
Stoich.:	ABC3D3E27F30 (1)
Weight, g/mol:	463.169641
ΔH_f, kcal/mol:	-69.83
Dipole, Da:	3.62
IP(EA), eV:	-8.39(-0.56)
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]-1,3-dipropylurea

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