Geometry & MOs

Info

ID:

181029

PubChem CID:

76715541

Reduced:

S2N4O5C40H46 (1)

Stoich.:

A2B4C5D40E46 (1)

Weight, g/mol:

691.307993

ΔHf, kcal/mol:

-62.94

Dipole, Da:

5.3

IP(EA), eV:

 -8.83(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[(6-methyl-1,3-benzothiazol-2-yl)oxy]-14-[(3-methylphenyl)methyl]-2,15-dioxo-N-phenoxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6S5)C(=O)NOC7=CC=CC=C7

DOS

IR

Vibrations