Geometry & MOs

Info

ID:

191841

PubChem CID:

78193477

Reduced:

Cl2S2O4N10C47H54 (1)

Stoich.:

A2B2C4D10E47F54 (1)

Weight, g/mol:

569.347356

ΔHf, kcal/mol:

7.73

Dipole, Da:

6.18

IP(EA), eV:

 -8.2(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;2-pentylsulfanyl-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CCCCCSC1=NC2=C(S1)C=C(C=C2)N.CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

DOS

IR

Vibrations