Geometry & MOs

Info

ID:	229620
PubChem CID:	87568210
Reduced:	NNaSO4C11H12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	278.046298
ΔH_f, kcal/mol:	-204.67
Dipole, Da:	9.98
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)O)CC=N[C@@H](CS)C(=O)[O-].[Na+]

DOS

IR

Vibrations