Geometry & MOs

Info

ID:	124055
PubChem CID:	50871343
Reduced:	NS2O6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	368.067822
ΔH_f, kcal/mol:	-167.74
Dipole, Da:	4.84
IP(EA), eV:	-8.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] methanesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)C3=CC=CC=C3)OS(=O)(=O)C

DOS

IR

Vibrations