Geometry & MOs

Info

ID:

239709

PubChem CID:

93166924

Reduced:

ClSN3O3C25H34 (1)

Stoich.:

ABC3D3E25F34 (1)

Weight, g/mol:

529.180205

ΔHf, kcal/mol:

-119.85

Dipole, Da:

5.06

IP(EA), eV:

 -8.79(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-tert-butyl-1-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(furan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations