Geometry & MOs

Info

ID:

440808

PubChem CID:

135231584

Reduced:

O2N6C23H26 (1)

Stoich.:

A2B6C23D26 (1)

Weight, g/mol:

440.086449

ΔHf, kcal/mol:

69.46

Dipole, Da:

3.53

IP(EA), eV:

 -9.36(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-6,6-dimethyl-1,1,8',8'-tetraoxo-4'-prop-1-ynylspiro[2H-1,4-thiazine-3,13'-8lambda6-thiatetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene]-5-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1COC(N1)C2=C3CN4C(=NN=C4C5=C(N3C=N2)C=CC(=C5)C#C)COC

DOS

IR

Vibrations