Geometry & MOs

Info

ID:

239655

PubChem CID:

93166857

Reduced:

ClSN3O3C27H28 (1)

Stoich.:

ABC3D3E27F28 (1)

Weight, g/mol:

509.153991

ΔHf, kcal/mol:

-44.01

Dipole, Da:

3.96

IP(EA), eV:

 -8.68(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-cyclopropyl-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)C5CC5

DOS

IR

Vibrations