Geometry & MOs

Info

ID:

239771

PubChem CID:

93167007

Reduced:

SN3O4C28H39 (1)

Stoich.:

AB3C4D28E39 (1)

Weight, g/mol:

522.235242

ΔHf, kcal/mol:

-139.16

Dipole, Da:

3.76

IP(EA), eV:

 -8.4(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-fluoro-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]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(CCN4CCCC4)C(=O)COC)SC=C3

DOS

IR

Vibrations