Geometry & MOs

Info

ID:

45277

PubChem CID:

10510499

Reduced:

N2S2O6C15H24 (3)

Stoich.:

A2B2C6D15E24 (3)

Weight, g/mol:

1198.37928

ΔHf, kcal/mol:

-863.39

Dipole, Da:

2.12

IP(EA), eV:

 -8.91(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-N,17-N-bis(1-adamantyl)-11,23-diiodo-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,17-dicarboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CSSC[C@H](NC(=O)CCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCC(=O)N1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations