Geometry & MOs

Info

ID:

239740

PubChem CID:

93166962

Reduced:

ClSN3O4C24H32 (1)

Stoich.:

ABC3D4E24F32 (1)

Weight, g/mol:

507.195855

ΔHf, kcal/mol:

-144.2

Dipole, Da:

5.43

IP(EA), eV:

 -8.74(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(3-methoxypropyl)-3-propan-2-ylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations