Geometry & MOs

Info

ID:

52448

PubChem CID:

12015311

Reduced:

S2N6O8C39H64 (1)

Stoich.:

A2B6C8D39E64 (1)

Weight, g/mol:

712.488734

ΔHf, kcal/mol:

-329.23

Dipole, Da:

5.1

IP(EA), eV:

 -8.99(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,14-dihexyl-7,11-bis(morpholine-4-carbonyl)-3,6,12,15-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-triene-5,13-dione

Drug info:

PubChemData

Smile

CCCCCCC1C2=NC(=C(O2)N3CCOCC3)CCCC4=C(OC(=N4)C(N[C@@H](CSSC[C@H](N1)C(=O)OC)C(=O)OC)CCCCCC)N5CCOCC5

DOS

IR

Vibrations