Geometry & MOs

Info

ID:	194128
PubChem CID:	78488035
Reduced:	SN3O4C9H16 (1)
Stoich.:	AB3C4D9E16 (1)
Weight, g/mol:	339.101468
ΔH_f, kcal/mol:	-151.69
Dipole, Da:	6.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755287
Charge, e:	1

Chem-info

IUPAC name:

(2,6-dimethylphenyl) 1,3,4-trimethyl-2,6-dioxo-5H-pyrimidin-3-ium-5-sulfonate

Drug info:

PubChemData

Smile

CC1=[N+](C(=O)N(C(=O)C1S(=O)(=O)N(C)C)C)C

DOS

IR

Vibrations