Geometry & MOs

Info

ID:

239358

PubChem CID:

93166360

Reduced:

ClSN2O3C28H31 (1)

Stoich.:

ABC2D3E28F31 (1)

Weight, g/mol:

460.158742

ΔHf, kcal/mol:

-76.33

Dipole, Da:

7.5

IP(EA), eV:

 -9.15(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N(CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(C)(C)C

DOS

IR

Vibrations