Geometry & MOs

Info

ID:	381805
PubChem CID:	134972636
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	92.050024
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	7.1
IP(EA), eV:	-9.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=C(CC(=O)NC1=CC=CC=C1S)C(=O)O

DOS

IR

Vibrations