Geometry & MOs

Info

ID:

239848

PubChem CID:

93167110

Reduced:

FSN2O3C29H33 (1)

Stoich.:

ABC2D3E29F33 (1)

Weight, g/mol:

508.219592

ΔHf, kcal/mol:

-125.33

Dipole, Da:

2.02

IP(EA), eV:

 -8.58(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@H]2C3=C(CCN2C(=O)CN(C(C)C)C(=O)C4=CC=CC=C4F)SC=C3

DOS

IR

Vibrations