Geometry & MOs

Info

ID:

181082

PubChem CID:

76715594

Reduced:

S2N3O8C36H47 (1)

Stoich.:

A2B3C8D36E47 (1)

Weight, g/mol:

620.211171

ΔHf, kcal/mol:

-296.04

Dipole, Da:

9.23

IP(EA), eV:

 -9.14(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(S2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6

DOS

IR

Vibrations