Geometry & MOs

Info

ID:

86447

PubChem CID:

49885643

Reduced:

ClSO3N4H27C28 (1)

Stoich.:

ABC3D4E27F28 (1)

Weight, g/mol:

551.129711

ΔHf, kcal/mol:

-20.42

Dipole, Da:

6.56

IP(EA), eV:

 -8.75(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[2-[[2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=NN=C(N2C3=CC=CC=C3)C4C(OC5=CC=CC=C5O4)C

DOS

IR

Vibrations