Geometry & MOs

Info

ID:

47545

PubChem CID:

10534059

Reduced:

IO8N10C46H71 (1)

Stoich.:

AB8C10D46E71 (1)

Weight, g/mol:

1029.31602

ΔHf, kcal/mol:

-353.79

Dipole, Da:

5.94

IP(EA), eV:

 -9.11(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18,28,36,38-tetrakis(2-ethoxyethoxy)-23-iodo-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1(28),2,7(40),8,10,15,17,19(39),21,23,25(38),27(37),30(36),31,33-pentadecaene-6,12-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC[C@H](CCCCN)NC(=O)CC3=CC=CC=C3[131I]

DOS

IR

Vibrations