Geometry & MOs

Info

ID:

318925

PubChem CID:

126653748

Reduced:

SN3O3C29H43 (1)

Stoich.:

AB3C3D29E43 (1)

Weight, g/mol:

523.286863

ΔHf, kcal/mol:

-120.77

Dipole, Da:

4.22

IP(EA), eV:

 -8.81(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[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

CC1CC(NC(=O)C1CN2CCC3=C(C2=O)C(=C(S3)CC4CCC(CC4)N5CC(C5)OC6CC6)C)C

DOS

IR

Vibrations