Geometry & MOs

Info

ID:

181169

PubChem CID:

76715681

Reduced:

S2N5O7C43H51 (1)

Stoich.:

A2B5C7D43E51 (1)

Weight, g/mol:

604.240722

ΔHf, kcal/mol:

-190.64

Dipole, Da:

3.62

IP(EA), eV:

 -8.57(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(3-fluorophenyl)methyl]-18-[(6-methyl-1,3-benzothiazol-2-yl)oxy]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)NC6=CC=CC=C6)C(=O)NS(=O)(=O)C)C7=NC(=CS7)C(C)C)OC

DOS

IR

Vibrations