Geometry & MOs

Info

ID:

239415

PubChem CID:

93166452

Reduced:

ClSN2O4C25H25 (1)

Stoich.:

ABC2D4E25F25 (1)

Weight, g/mol:

460.158742

ΔHf, kcal/mol:

-65.0

Dipole, Da:

5.25

IP(EA), eV:

 -8.88(-0.71)

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-(cyclopropylmethyl)-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CC1CN(CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(=O)C5=CC=CO5

DOS

IR

Vibrations