Geometry & MOs

Info

ID:

164842

PubChem CID:

74461253

Reduced:

SO2N6C23H31 (1)

Stoich.:

AB2C6D23E31 (1)

Weight, g/mol:

309.098765

ΔHf, kcal/mol:

25.58

Dipole, Da:

6.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.116394

Charge, e:

 1

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)SCC(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4)C

DOS

IR

Vibrations