Geometry & MOs

Info

ID:

181142

PubChem CID:

76715654

Reduced:

FSN3O5C34H38 (1)

Stoich.:

ABC3D5E34F38 (1)

Weight, g/mol:

741.377135

ΔHf, kcal/mol:

-138.61

Dipole, Da:

6.78

IP(EA), eV:

 -9.51(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-(dimethylsulfamoylcarbamoyl)-18-(6-methyl-1-propan-2-ylbenzimidazol-2-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate

Drug info:

PubChemData

Smile

CONC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC4=NC5=C(S4)C=C(C=C5)F)CC6=CC=CC=C6

DOS

IR

Vibrations