Geometry & MOs

Info

ID:

143675

PubChem CID:

53246434

Reduced:

SN7O9C40H51 (1)

Stoich.:

AB7C9D40E51 (1)

Weight, g/mol:

464.141532

ΔHf, kcal/mol:

-271.81

Dipole, Da:

9.57

IP(EA), eV:

 -8.53(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2'-amino-6-(5-chloropyridin-3-yl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)C6=NN(C=C6)C)C(=O)NS(=O)(=O)C7CC7)OC(C)C)OC

DOS

IR

Vibrations