Geometry & MOs

Info

ID:

181194

PubChem CID:

76715707

Reduced:

SN2O6C35H40 (1)

Stoich.:

AB2C6D35E40 (1)

Weight, g/mol:

717.308387

ΔHf, kcal/mol:

-175.86

Dipole, Da:

2.8

IP(EA), eV:

 -8.74(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[18-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]-2,15-dioxo-4-(phenoxycarbamoyl)-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CCC6=CC=CC=C6)C(=O)O

DOS

IR

Vibrations