Geometry & MOs

Info

ID:	213410
PubChem CID:	81063623
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	263.082744
ΔH_f, kcal/mol:	-132.06
Dipole, Da:	3.7
IP(EA), eV:	-9.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,1-dioxothiolane-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC2=C(CCC2)C=C1

DOS

IR

Vibrations