Geometry & MOs

Info

ID:

239527

PubChem CID:

93166639

Reduced:

ClSN2O3C28H29 (1)

Stoich.:

ABC2D3E28F29 (1)

Weight, g/mol:

508.158742

ΔHf, kcal/mol:

-54.61

Dipole, Da:

2.18

IP(EA), eV:

 -8.93(-0.25)

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-cyclopropyl-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CC(=O)N2CCC3=C([C@@H]2COC4=CC(=C(C=C4)Cl)C)C=CS3)C5CC5

DOS

IR

Vibrations