Geometry & MOs

Info

ID:

239279

PubChem CID:

93166240

Reduced:

ClSN2O3C28H31 (1)

Stoich.:

ABC2D3E28F31 (1)

Weight, g/mol:

464.153656

ΔHf, kcal/mol:

-74.69

Dipole, Da:

2.5

IP(EA), eV:

 -9.02(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations