Geometry & MOs

Info

ID:

214786

PubChem CID:

85083639

Reduced:

FN6O7C30H33 (1)

Stoich.:

AB6C7D30E33 (1)

Weight, g/mol:

608.27809

ΔHf, kcal/mol:

-215.13

Dipole, Da:

4.77

IP(EA), eV:

 -8.72(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-2,4-dioxoimidazolidin-1-yl]-N-(1H-imidazol-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1(CCN(CC1)C2=CC=CC=C2F)OC3C(C(OC3N4C=NC5C4=NC(=NC5=O)NC(=O)CC6=CC=CC=C6)CO)O

DOS

IR

Vibrations