Geometry & MOs

Info

ID:

239374

PubChem CID:

93166384

Reduced:

ClSN2O4C24H29 (1)

Stoich.:

ABC2D4E24F29 (1)

Weight, g/mol:

516.184956

ΔHf, kcal/mol:

-139.1

Dipole, Da:

5.5

IP(EA), eV:

 -8.82(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations