Geometry & MOs

Info

ID:

239414

PubChem CID:

93166451

Reduced:

ClSN2O4C25H25 (1)

Stoich.:

ABC2D4E25F25 (1)

Weight, g/mol:

484.122356

ΔHf, kcal/mol:

-63.32

Dipole, Da:

5.19

IP(EA), eV:

 -9.12(-0.52)

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)furan-2-carboxamide

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