Geometry & MOs

Info

ID:

239571

PubChem CID:

93166714

Reduced:

ClSN2O3C24H31 (1)

Stoich.:

ABC2D3E24F31 (1)

Weight, g/mol:

490.205692

ΔHf, kcal/mol:

-120.47

Dipole, Da:

4.47

IP(EA), eV:

 -9.12(-0.45)

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]-2-methyl-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)C

DOS

IR

Vibrations