Geometry & MOs

Info

ID:

395014

PubChem CID:

135024439

Reduced:

S4N7O12H29C31 (1)

Stoich.:

A4B7C12D29E31 (1)

Weight, g/mol:

742.049155

ΔHf, kcal/mol:

-274.04

Dipole, Da:

27.77

IP(EA), eV:

 -7.69(-3.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,9R,19R,24R)-2,11,17,26-tetraoxo-6,7,21,22-tetrathia-3,10,14,18,25,29-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),12(32),13,15,27,29-hexaene-4,9,19,24-tetracarboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](NC(=O)C2=CC(=NC=C2)C3=NC=CC(=C3)C(=O)N[C@@H](CSSC[C@H](NC(=O)C4=CN=CC(=C4)C(=O)N[C@@H](CSS1)C(=O)O)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations