Geometry & MOs

Info

ID:

395013

PubChem CID:

135024438

Reduced:

NOC17H29 (1)

Stoich.:

ABC17D29 (1)

Weight, g/mol:

819.075704

ΔHf, kcal/mol:

-85.04

Dipole, Da:

4.0

IP(EA), eV:

 -9.62(1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,14R,24R,29R)-7,16,22,31-tetraoxo-11,12,26,27-tetrathia-3,8,15,19,23,30,35-heptazatetracyclo[30.3.1.12,6.117,21]octatriaconta-1(35),2,4,6(38),17(37),18,20,32(36),33-nonaene-9,14,24,29-tetracarboxylic acid

Drug info:

PubChemData

Smile

C[C@]12CCCC(C1CCC(=C)[C@H]2CC(=O)NC)(C)C

DOS

IR

Vibrations