Geometry & MOs

Info

ID:

181211

PubChem CID:

76715724

Reduced:

SN3O8C28H37 (1)

Stoich.:

AB3C8D28E37 (1)

Weight, g/mol:

737.236006

ΔHf, kcal/mol:

-305.48

Dipole, Da:

5.01

IP(EA), eV:

 -9.71(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)O)C(=O)NS(=O)(=O)C4=CC=CC=C4OCC(=O)N

DOS

IR

Vibrations