Geometry & MOs

Info

ID:

318927

PubChem CID:

126653756

Reduced:

SO2N5C32H43 (1)

Stoich.:

AB2C5D32E43 (1)

Weight, g/mol:

428.224597

ΔHf, kcal/mol:

-26.76

Dipole, Da:

4.34

IP(EA), eV:

 -8.86(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-aminocyclohexyl)-ethylamino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2CN(C2)C3CCC(CC3)[C@@H](C)C4=C(C5=C(S4)CCN(C5=O)CC6=C(N=C(C=C6C)C)OC)C

DOS

IR

Vibrations