Geometry & MOs

Info

ID:	327481
PubChem CID:	126690065
Reduced:	SC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	504.185607
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	2.6
IP(EA), eV:	-8.35(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-ethyl-6-[4-(2-oxoethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)C1CC2C1CCCS2

DOS

IR

Vibrations