Geometry & MOs

Info

ID:

239366

PubChem CID:

93166370

Reduced:

ClSN2O4C23H29 (1)

Stoich.:

ABC2D4E23F29 (1)

Weight, g/mol:

514.132921

ΔHf, kcal/mol:

-140.2

Dipole, Da:

6.03

IP(EA), eV:

 -8.91(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations