Geometry & MOs

Info

ID:

239941

PubChem CID:

93167213

Reduced:

FSN2O3C29H31 (1)

Stoich.:

ABC2D3E29F31 (1)

Weight, g/mol:

506.203942

ΔHf, kcal/mol:

-86.19

Dipole, Da:

2.59

IP(EA), eV:

 -8.48(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-4-fluoro-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(C4CC4)C(=O)C5=CC=C(C=C5)F)SC=C3

DOS

IR

Vibrations