Geometry & MOs

Info

ID:	197751
PubChem CID:	78991760
Reduced:	ON2S2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	299.046358
ΔH_f, kcal/mol:	18.61
Dipole, Da:	0.56
IP(EA), eV:	-8.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-nitrophenyl)methyl]-1,1-dioxothiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(CCC#N)C(=O)C1=CC2=C(S1)C=CS2

DOS

IR

Vibrations