Geometry & MOs

Info

ID:

239747

PubChem CID:

93166972

Reduced:

ClSN3O3C24H32 (1)

Stoich.:

ABC3D3E24F32 (1)

Weight, g/mol:

519.232241

ΔHf, kcal/mol:

-120.86

Dipole, Da:

4.88

IP(EA), eV:

 -8.8(-0.31)

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-[(2R)-2-methylbutyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations