Geometry & MOs

Info

ID:	399731
PubChem CID:	135042108
Reduced:	ClNSO3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	274.05822
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	7.32
IP(EA), eV:	-8.77(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-diethoxyphosphoryl-3-ethoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/C=C/2\C=C(C=CC2=O)Cl

DOS

IR

Vibrations