Geometry & MOs

Info

ID:

239502

PubChem CID:

93166594

Reduced:

ClSN2O3C23H29 (1)

Stoich.:

ABC2D3E23F29 (1)

Weight, g/mol:

476.190042

ΔHf, kcal/mol:

-111.52

Dipole, Da:

4.09

IP(EA), eV:

 -8.78(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations