Geometry & MOs

Info

ID:	193595
PubChem CID:	78411495
Reduced:	SO2N5H11C16 (1)
Stoich.:	AB2C5D11E16 (1)
Weight, g/mol:	234.040558
ΔH_f, kcal/mol:	92.9
Dipole, Da:	7.28
IP(EA), eV:	-9.5(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)ethenylphosphonic acid

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)CSC3=NN=C(O3)C4=CC=NC=C4)C=C1

DOS

IR

Vibrations