Geometry & MOs

Info

ID:

318928

PubChem CID:

126653757

Reduced:

SO2N4C23H32 (1)

Stoich.:

AB2C4D23E32 (1)

Weight, g/mol:

525.302513

ΔHf, kcal/mol:

-85.29

Dipole, Da:

4.44

IP(EA), eV:

 -8.18(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N)C2=CC3=C(S2)CCN(C3=O)CC4=C(C=C(NC4=O)C)C

DOS

IR

Vibrations