Geometry & MOs

Info

ID:

388

PubChem CID:

2693

Reduced:

S4N6O6H30C31 (1)

Stoich.:

A4B6C6D30E31 (1)

Weight, g/mol:

710.110967

ΔHf, kcal/mol:

-66.6

Dipole, Da:

8.63

IP(EA), eV:

 -8.64(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CN(C4=CC=CC=C43)C56CC78C(=O)N(C(C(=O)N7C5NC9=CC=CC=C69)(SS8)CO)C)C)CO

DOS

IR

Vibrations