Geometry & MOs

Info

ID:

181181

PubChem CID:

76715694

Reduced:

FS2N3O6C37H42 (1)

Stoich.:

AB2C3D6E37F42 (1)

Weight, g/mol:

622.2313

ΔHf, kcal/mol:

-200.03

Dipole, Da:

4.07

IP(EA), eV:

 -9.21(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations