Geometry & MOs

Info

ID:	36382
PubChem CID:	8004839
Reduced:	SO2N4C11H14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	416.183498
ΔH_f, kcal/mol:	-65.26
Dipole, Da:	7.39
IP(EA), eV:	-8.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,6-diamino-3-benzyl-8-morpholin-4-yl-1-oxo-2H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)NC1=O)C2=CSC(=N2)C)N

DOS

IR

Vibrations