Geometry & MOs

Info

ID:	183166
PubChem CID:	76985346
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	264.085855
ΔH_f, kcal/mol:	-11.03
Dipole, Da:	4.74
IP(EA), eV:	-9.14(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(C)CC2=CC(=CS2)C=CC(=O)O

DOS

IR

Vibrations