Geometry & MOs

Info

ID:	160013
PubChem CID:	57304381
Reduced:	NSO4C7H7 (1)
Stoich.:	ABC4D7E7 (1)
Weight, g/mol:	485.272326
ΔH_f, kcal/mol:	-130.79
Dipole, Da:	7.06
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)C(=O)O)S(=O)O

DOS

IR

Vibrations