Geometry & MOs

Info

ID:

170908

PubChem CID:

75299093

Reduced:

SN6O9C40H50 (1)

Stoich.:

AB6C9D40E50 (1)

Weight, g/mol:

479.314792

ΔHf, kcal/mol:

-300.45

Dipole, Da:

9.79

IP(EA), eV:

 -9.26(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CCCOC(=O)NC2CCCCCC=CC3CC3(NC(=O)C4CC(CN4C2=O)NC(=O)C5=CC=CC(=N5)C6=CC(=CC=C6)OCC1)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations