Geometry & MOs

Info

ID:

181164

PubChem CID:

76715676

Reduced:

S2N3O6C38H45 (1)

Stoich.:

A2B3C6D38E45 (1)

Weight, g/mol:

689.259328

ΔHf, kcal/mol:

-157.58

Dipole, Da:

3.86

IP(EA), eV:

 -9.21(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-benzyl-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6S5)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations