Geometry & MOs

Info

ID:	174207
PubChem CID:	75740147
Reduced:	FON2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	461.138247
ΔH_f, kcal/mol:	-83.24
Dipole, Da:	4.79
IP(EA), eV:	-9.12(0.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(4-ethoxyphenyl)methyl]-2,6-dioxo-1-(4-propoxyphenyl)sulfonyl-1,3-diazinan-4-olate

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC(C[NH2+]CC2=CC=C(C=C2)F)O

DOS

IR

Vibrations