Geometry & MOs

Info

ID:	261679
PubChem CID:	103245064
Reduced:	SN2O5C11H20 (1)
Stoich.:	AB2C5D11E20 (1)
Weight, g/mol:	219.056529
ΔH_f, kcal/mol:	-234.91
Dipole, Da:	6.41
IP(EA), eV:	-9.85(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CNC1(CCS(=O)(=O)C1)C)C(=O)OC

DOS

IR

Vibrations