Geometry & MOs

Info

ID:

59579

PubChem CID:

24875332

Reduced:

BrSN6O7C60H79 (1)

Stoich.:

ABC6D7E60F79 (1)

Weight, g/mol:

449.280418

ΔHf, kcal/mol:

-138.39

Dipole, Da:

37.52

IP(EA), eV:

 -5.26(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(3-phenoxypropyl)azanium

Drug info:

PubChemData

Smile

CCN(CC)CCN(CCNCCC1=C2C(=C(C=C1)O)NC(=O)S2)C(=O)CCOCCC3=CC=CC4=CC=CC=C43.C[N+](C)(CCCOC1=CC=CC=C1)CC2=CN=C(O2)[C@@](C3CCCCC3)(C4=CC=CC=C4)O.[Br-]

DOS

IR

Vibrations