Geometry & MOs

Info

ID:	174913
PubChem CID:	75831517
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	381.159651
ΔH_f, kcal/mol:	-116.12
Dipole, Da:	9.53
IP(EA), eV:	-7.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[benzyl(methyl)amino]propyl]-1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C=[N+](C1=O)C)S(=O)(=O)NCCC[NH+](C)CC2=CC=CC=C2

DOS

IR

Vibrations