Geometry & MOs

Info

ID:	26833
PubChem CID:	799180
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	312.097088
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	4.59
IP(EA), eV:	-9.54(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-1-(3-methylphenyl)-5-(1,2,4-triazol-4-yliminomethyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations