Geometry & MOs

Info

ID:

181102

PubChem CID:

76715614

Reduced:

FSN5O6C38H48 (1)

Stoich.:

ABC5D6E38F48 (1)

Weight, g/mol:

586.257354

ΔHf, kcal/mol:

-230.04

Dipole, Da:

4.12

IP(EA), eV:

 -8.57(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-amino-18-(1H-benzimidazol-2-yloxy)-N-(dimethylsulfamoyl)-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC(=CC(=C6)C)F)C(=O)NS(=O)(=O)N(C)C

DOS

IR

Vibrations