Geometry & MOs

Info

ID:

239675

PubChem CID:

93166879

Reduced:

ClSN3O3C28H32 (1)

Stoich.:

ABC3D3E28F32 (1)

Weight, g/mol:

525.185291

ΔHf, kcal/mol:

-85.38

Dipole, Da:

3.22

IP(EA), eV:

 -8.64(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-tert-butyl-1-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N(CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(C)(C)C

DOS

IR

Vibrations