Geometry & MOs

Info

ID:

239535

PubChem CID:

93166652

Reduced:

ClSN2O4C25H31 (1)

Stoich.:

ABC2D4E25F31 (1)

Weight, g/mol:

518.200607

ΔHf, kcal/mol:

-127.92

Dipole, Da:

3.33

IP(EA), eV:

 -8.85(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@H]2C3=C(CCN2C(=O)CN(CCCOC)C(=O)C4CC4)SC=C3)Cl

DOS

IR

Vibrations