Geometry & MOs

Info

ID:	7213
PubChem CID:	71549
Reduced:	S2N4O9C18H26 (1)
Stoich.:	A2B4C9D18E26 (1)
Weight, g/mol:	506.114121
ΔH_f, kcal/mol:	-323.55
Dipole, Da:	8.67
IP(EA), eV:	-9.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-carbamimidoylphenoxy)benzenecarboximidamide;2-hydroxyethanesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=N)N)OC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

DOS

IR

Vibrations