Geometry & MOs

Info

ID:	239701
PubChem CID:	93166916
Reduced:	ClSN3O3C22H26 (1)
Stoich.:	ABC3D3E22F26 (1)
Weight, g/mol:	461.153991
ΔH_f, kcal/mol:	-62.19
Dipole, Da:	5.09
IP(EA), eV:	-9.06(-0.37)
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]-1-prop-2-enyl-3-propylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations