Geometry & MOs

Info

ID:

239375

PubChem CID:

93166385

Reduced:

ClSN2O4C27H33 (1)

Stoich.:

ABC2D4E27F33 (1)

Weight, g/mol:

516.184956

ΔHf, kcal/mol:

-145.69

Dipole, Da:

2.78

IP(EA), eV:

 -8.82(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-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

C1CCC(C1)C(=O)N(C[C@@H]2CCCO2)CC(=O)N3CCC4=C([C@H]3COC5=CC=C(C=C5)Cl)C=CS4

DOS

IR

Vibrations