Geometry & MOs

Info

ID:

314293

PubChem CID:

126621171

Reduced:

O2S2N8H26C27 (1)

Stoich.:

A2B2C8D26E27 (1)

Weight, g/mol:

519.99293

ΔHf, kcal/mol:

134.71

Dipole, Da:

6.6

IP(EA), eV:

 -9.7(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2E)-2-[6-(4-oxocyclohexa-2,5-dien-1-ylidene)pyridin-3-ylidene]-5-(trifluoromethyl)-1,3-dihydropyrrol-3-yl]methoxy]ethyl thiohypoiodite

Drug info:

PubChemData

Smile

C[C@H](C1=CN=CC=C1)C(=O)NC2=NN=C(S2)[C@H]3CC[C@H](C3)CC4=NN=C(S4)NC(=O)[C@@H](C#C)C5=CN=CC=C5

DOS

IR

Vibrations