Geometry & MOs

Info

ID:

86325

PubChem CID:

49884093

Reduced:

S2N5O5C22H25 (1)

Stoich.:

A2B5C5D22E25 (1)

Weight, g/mol:

515.129711

ΔHf, kcal/mol:

-115.09

Dipole, Da:

7.25

IP(EA), eV:

 -9.01(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[[2-[[4-ethyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)CC(=O)OCC)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations