Geometry & MOs

Info

ID:

149229

PubChem CID:

53788901

Reduced:

FSO3N7C28H29 (1)

Stoich.:

ABC3D7E28F29 (1)

Weight, g/mol:

306.111676

ΔHf, kcal/mol:

-36.24

Dipole, Da:

5.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.015797

Charge, e:

 0

Chem-info

IUPAC name:

3-oxo-N-pyridin-3-yl-2,4-dihydro-1H-pyrido[1,2-a]benzimidazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)[N+]2=CC=CC=C2N1)CCN3CCC(CC3)S(=O)(=O)C4=NC5=CN=CN=C5N4CC6=CC=C(C=C6)F

DOS

IR

Vibrations