Geometry & MOs

Info

ID:

239412

PubChem CID:

93166445

Reduced:

ClSN2O4C24H31 (1)

Stoich.:

ABC2D4E24F31 (1)

Weight, g/mol:

512.13367

ΔHf, kcal/mol:

-143.38

Dipole, Da:

5.6

IP(EA), eV:

 -8.97(-0.43)

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)-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)CN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)COC

DOS

IR

Vibrations