Geometry & MOs

Info

ID:	13765
PubChem CID:	397970
Reduced:	SCl2N4O6H14C19 (1)
Stoich.:	AB2C4D6E14F19 (1)
Weight, g/mol:	496.001111
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	8.79
IP(EA), eV:	-9.14(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chloro-6-nitrophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO)[N+](=O)[O-]

DOS

IR

Vibrations