Geometry & MOs

Info

ID:	183207
PubChem CID:	76991174
Reduced:	SO3N4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	2.31
IP(EA), eV:	-9.47(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-cyanoethyl(methyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)NC2=NC=CN=C2C(=O)O

DOS

IR

Vibrations