Geometry & MOs

Info

ID:

181087

PubChem CID:

76715599

Reduced:

SN2O3C20H25 (2)

Stoich.:

AB2C3D20E25 (2)

Weight, g/mol:

650.14501

ΔHf, kcal/mol:

-167.58

Dipole, Da:

10.57

IP(EA), eV:

 -9.16(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-18-[(6-bromo-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(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC=CC6=CC=CC=C65)CC7=NC(=CS7)C(C)(C)C

DOS

IR

Vibrations