Geometry & MOs

Info

ID:

239423

PubChem CID:

93166468

Reduced:

ClSN2O3C26H31 (1)

Stoich.:

ABC2D3E26F31 (1)

Weight, g/mol:

508.158742

ΔHf, kcal/mol:

-80.83

Dipole, Da:

6.11

IP(EA), eV:

 -8.92(-0.4)

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)-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N(CC2CC2)CC(=O)N3CCC4=C([C@@H]3COC5=CC=C(C=C5)Cl)C=CS4

DOS

IR

Vibrations