Geometry & MOs

Info

ID:

181185

PubChem CID:

76715698

Reduced:

ClSN2O6C35H41 (1)

Stoich.:

ABC2D6E35F41 (1)

Weight, g/mol:

569.201814

ΔHf, kcal/mol:

-183.68

Dipole, Da:

5.13

IP(EA), eV:

 -9.31(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 14-(2-amino-2-sulfanylideneethyl)-18-(1,3-benzothiazol-2-yloxy)-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC4=C(CN3C1=O)C=CC(=C4)OC5=CC(=CC=C5)Cl)C(=O)NS(=O)(=O)C6(CC6)C

DOS

IR

Vibrations