Geometry & MOs

Info

ID:

315022

PubChem CID:

126624193

Reduced:

BrNSO4C16H22 (1)

Stoich.:

ABCD4E16F22 (1)

Weight, g/mol:

561.313747

ΔHf, kcal/mol:

-153.17

Dipole, Da:

5.34

IP(EA), eV:

 -8.88(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-3-methyl-2-[(1R)-1-[4-[3-(5-methylpyrazol-1-yl)azetidin-1-yl]cyclohexyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)Br)N(C)C2CCC3(CC2)OCCO3

DOS

IR

Vibrations