Geometry & MOs

Info

ID:

86414

PubChem CID:

49885345

Reduced:

SO4N5C23H25 (1)

Stoich.:

AB4C5D23E25 (1)

Weight, g/mol:

542.165762

ΔHf, kcal/mol:

-77.71

Dipole, Da:

3.63

IP(EA), eV:

 -8.52(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[[4-ethyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-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=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations