Geometry & MOs

Info

ID:

239531

PubChem CID:

93166643

Reduced:

ClSN2O4C23H29 (1)

Stoich.:

ABC2D4E23F29 (1)

Weight, g/mol:

492.184956

ΔHf, kcal/mol:

-141.62

Dipole, Da:

9.84

IP(EA), eV:

 -8.53(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations