Geometry & MOs

Info

ID:	390031
PubChem CID:	134996700
Reduced:	ClOSN3H14C17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	448.00489
ΔH_f, kcal/mol:	90.37
Dipole, Da:	2.19
IP(EA), eV:	-8.87(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diethoxyphosphoryl-5-iodo-6-methyl-1-phenylpyrazin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=[N+](C=C(N=N2)C3=CC=C(C=C3)Cl)[O-]

DOS

IR

Vibrations