Geometry & MOs

Info

ID:

239574

PubChem CID:

93166721

Reduced:

ClSN2O3C25H33 (1)

Stoich.:

ABC2D3E25F33 (1)

Weight, g/mol:

476.190042

ΔHf, kcal/mol:

-122.56

Dipole, Da:

5.58

IP(EA), eV:

 -9.07(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations