Geometry & MOs

Info

ID:

128272

PubChem CID:

51037084

Reduced:

O9N16C41H68 (1)

Stoich.:

A9B16C41D68 (1)

Weight, g/mol:

155.913951

ΔHf, kcal/mol:

-401.22

Dipole, Da:

8.79

IP(EA), eV:

 -9.19(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(131I)iodanylethyne

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](C(C)C)N

DOS

IR

Vibrations