Geometry & MOs

Info

ID:

239679

PubChem CID:

93166884

Reduced:

ClSN3O4C24H30 (1)

Stoich.:

ABC3D4E24F30 (1)

Weight, g/mol:

505.180205

ΔHf, kcal/mol:

-140.43

Dipole, Da:

3.57

IP(EA), eV:

 -8.87(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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