Geometry & MOs

Info

ID:

239762

PubChem CID:

93166991

Reduced:

ClSN3O3C25H34 (1)

Stoich.:

ABC3D3E25F34 (1)

Weight, g/mol:

505.216591

ΔHf, kcal/mol:

-127.29

Dipole, Da:

3.6

IP(EA), eV:

 -9.06(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations