Geometry & MOs

Info

ID:

398152

PubChem CID:

135032006

Reduced:

IN3S3O7C19H22 (1)

Stoich.:

AB3C3D7E19F22 (1)

Weight, g/mol:

740.001493

ΔHf, kcal/mol:

-245.83

Dipole, Da:

5.89

IP(EA), eV:

 -9.28(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trimethyl-[21,21,22,22-tetraoxo-7,12,17-tris(trimethylsilyl)-3,6,13,16,21lambda6,22lambda6-hexathiaheptacyclo[16.2.1.18,11.04,20.05,9.010,14.015,19]docosa-1,4(20),5(9),7,10(14),11,15(19),17-octaen-2-yl]silane

Drug info:

PubChemData

Smile

CCOC(=S)S[C@@H]1[C@H](N(C(=O)N1C(=O)C)C(=O)C)CC(=O)N(C2=CC=C(C=C2)I)S(=O)(=O)C

DOS

IR

Vibrations