Geometry & MOs

Info

ID:

49563

PubChem CID:

11533264

Reduced:

FO3N4C28H31 (1)

Stoich.:

AB3C4D28E31 (1)

Weight, g/mol:

490.199839

ΔHf, kcal/mol:

-96.92

Dipole, Da:

6.74

IP(EA), eV:

 -8.57(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N-methylpropanamide

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C4C(=CC=C3)N(CCO4)C5=NC=C(C=C5)C)F

DOS

IR

Vibrations