Geometry & MOs

Info

ID:

239678

PubChem CID:

93166883

Reduced:

ClSN3O4C24H30 (1)

Stoich.:

ABC3D4E24F30 (1)

Weight, g/mol:

491.164555

ΔHf, kcal/mol:

-144.36

Dipole, Da:

5.34

IP(EA), eV:

 -8.76(-0.36)

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]-3-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)N(C[C@@H]1CCCO1)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations