Geometry & MOs

Info

ID:

181054

PubChem CID:

76715566

Reduced:

S2N6O7C47H58 (1)

Stoich.:

A2B6C7D47E58 (1)

Weight, g/mol:

709.204706

ΔHf, kcal/mol:

-193.61

Dipole, Da:

6.24

IP(EA), eV:

 -8.49(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)N7CCCCC7)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations