Geometry & MOs

Info

ID:

239785

PubChem CID:

93167025

Reduced:

SN2O3C31H38 (1)

Stoich.:

AB2C3D31E38 (1)

Weight, g/mol:

518.260314

ΔHf, kcal/mol:

-87.5

Dipole, Da:

3.71

IP(EA), eV:

 -8.64(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N(CC(C)C)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)C(C)C)C=CS3

DOS

IR

Vibrations