Geometry & MOs

Info

ID:	175391
PubChem CID:	75897123
Reduced:	SN4O5C20H32 (1)
Stoich.:	AB4C5D20E32 (1)
Weight, g/mol:	349.175004
ΔH_f, kcal/mol:	-143.12
Dipole, Da:	9.28
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[3-(4-hydroxypiperidin-1-ium-1-yl)propylamino]-3-nitro-5H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CCC(CC3)O)[N+](=O)[O-]

DOS

IR

Vibrations