Geometry & MOs

Info

ID:

86326

PubChem CID:

49884094

Reduced:

S2N5O5C23H25 (1)

Stoich.:

A2B5C5D23E25 (1)

Weight, g/mol:

527.166097

ΔHf, kcal/mol:

-92.53

Dipole, Da:

6.88

IP(EA), eV:

 -9.06(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[4-ethyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=NC(=C(S2)C(=O)OCC=C)C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations