Geometry & MOs

Info

ID:

239488

PubChem CID:

93166566

Reduced:

ClSN2O4C28H31 (1)

Stoich.:

ABC2D4E28F31 (1)

Weight, g/mol:

514.14932

ΔHf, kcal/mol:

-108.01

Dipole, Da:

9.32

IP(EA), eV:

 -8.65(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@H]2C3=C(CCN2C(=O)CN(CC4=CC=CO4)C(=O)C5CCCC5)SC=C3)Cl

DOS

IR

Vibrations