Geometry & MOs

Info

ID:	366277
PubChem CID:	127319734
Reduced:	S2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	-67.82
Dipole, Da:	7.1
IP(EA), eV:	-9.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations