Geometry & MOs

Info

ID:

179363

PubChem CID:

76471000

Reduced:

SN6F7O10C39H45 (1)

Stoich.:

AB6C7D10E39F45 (1)

Weight, g/mol:

414.150347

ΔHf, kcal/mol:

-707.6

Dipole, Da:

7.23

IP(EA), eV:

 -9.74(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-amino-7-fluoro-8-(2-fluoropyridin-3-yl)-3',10a-dimethylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazole]-4'-one

Drug info:

PubChemData

Smile

CC12CC(N(C1)C(=O)C(NC(=O)OC3CCCC3OCC=CC(C4=NC5=C(C=CC(=C5)OC(F)(F)F)N=C4O2)(F)F)C(C)(C)C)C(=O)NC6(CC6C(F)F)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations