Geometry & MOs

Info

ID:

315005

PubChem CID:

126624160

Reduced:

SN2O4C26H36 (1)

Stoich.:

AB2C4D26E36 (1)

Weight, g/mol:

523.286863

ΔHf, kcal/mol:

-165.04

Dipole, Da:

1.56

IP(EA), eV:

 -9.08(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R)-1-[4-(3-cyclopropyloxyazetidin-1-yl)cyclohexyl]ethyl]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNCCC2=C(C(=C(S2)C(C)C3CCC4(CC3)OCCO4)C)C(=O)OC

DOS

IR

Vibrations