Geometry & MOs

Info

ID:	239669
PubChem CID:	93166872
Reduced:	ClSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	463.169641
ΔH_f, kcal/mol:	-98.75
Dipole, Da:	5.52
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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