Geometry & MOs

Info

ID:

239216

PubChem CID:

93166151

Reduced:

ClSN2O5C27H29 (1)

Stoich.:

ABC2D5E27F29 (1)

Weight, g/mol:

528.148571

ΔHf, kcal/mol:

-136.6

Dipole, Da:

3.82

IP(EA), eV:

 -8.89(-0.57)

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]-3-methoxy-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

COCCN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations