Geometry & MOs

Info

ID:

239773

PubChem CID:

93167010

Reduced:

FSN2O3C30H35 (1)

Stoich.:

ABC2D3E30F35 (1)

Weight, g/mol:

442.229014

ΔHf, kcal/mol:

-119.57

Dipole, Da:

5.7

IP(EA), eV:

 -8.99(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-methylpropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)C(C)C)C=CS2)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations