Geometry & MOs

Info

ID:

239681

PubChem CID:

93166890

Reduced:

ClSN3O4C25H32 (1)

Stoich.:

ABC3D4E25F32 (1)

Weight, g/mol:

505.180205

ΔHf, kcal/mol:

-142.04

Dipole, Da:

5.94

IP(EA), eV:

 -9.25(-0.52)

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-[[(2S)-oxolan-2-yl]methyl]-3-propylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations