Geometry & MOs

Info

ID:

239812

PubChem CID:

93167054

Reduced:

SN2O4C29H34 (1)

Stoich.:

AB2C4D29E34 (1)

Weight, g/mol:

524.214507

ΔHf, kcal/mol:

-107.04

Dipole, Da:

3.02

IP(EA), eV:

 -8.59(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-N-(2-methoxyethyl)-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(CCOC)C(=O)C4=CC=CC=C4)SC=C3

DOS

IR

Vibrations