Geometry & MOs

Info

ID:

160803

PubChem CID:

57389825

Reduced:

SO4N5C27H29 (1)

Stoich.:

AB4C5D27E29 (1)

Weight, g/mol:

488.08376

ΔHf, kcal/mol:

-41.62

Dipole, Da:

4.62

IP(EA), eV:

 -8.56(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;[(4Z)-4-[4-(1-methylindol-5-yl)-5-oxo-1,2,4-triazolidin-3-ylidene]-3-oxo-6-propan-2-ylcyclohexa-1,5-dien-1-yl] phosphate

Drug info:

PubChemData

Smile

C[C@@H](CO)CS(=O)C1=C(N=CC(=C1)C2=CC3=C(C=C2)OCCN(C3)C4=NC=NC5=C4C=CC(=C5)OC)N

DOS

IR

Vibrations