Geometry & MOs

Info

ID:

181141

PubChem CID:

76715653

Reduced:

SN2O5C40H42 (1)

Stoich.:

AB2C5D40E42 (1)

Weight, g/mol:

619.251621

ΔHf, kcal/mol:

-103.63

Dipole, Da:

6.32

IP(EA), eV:

 -9.1(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC4=NC5=CC=CC=C5S4)CC6=CC=C(C=C6)C7=CC=CC=C7

DOS

IR

Vibrations