Geometry & MOs

Info

ID:	225899
PubChem CID:	87235974
Reduced:	S3N5O6C21H23 (1)
Stoich.:	A3B5C6D21E23 (1)
Weight, g/mol:	257.066439
ΔH_f, kcal/mol:	-160.39
Dipole, Da:	6.38
IP(EA), eV:	-9.07(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-aminopentan-3-ylphosphonic acid;oxalic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)NCC1=CSC2=C1S(=O)(=O)N/C(=C/3\C(=O)C4=CC=CC=C4N(C3=O)NCC5CC5)/N2

DOS

IR

Vibrations