Geometry & MOs

Info

ID:

86484

PubChem CID:

49886051

Reduced:

S2O3N4C22H26 (1)

Stoich.:

A2B3C4D22E26 (1)

Weight, g/mol:

530.148004

ΔHf, kcal/mol:

-35.83

Dipole, Da:

4.3

IP(EA), eV:

 -8.56(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)OC)OC)CSC3=CC=CC=C3

DOS

IR

Vibrations