Geometry & MOs

Info

ID:	189569
PubChem CID:	77875013
Reduced:	SN4O4C12H14 (1)
Stoich.:	AB4C4D12E14 (1)
Weight, g/mol:	361.084475
ΔH_f, kcal/mol:	-72.56
Dipole, Da:	3.69
IP(EA), eV:	-9.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;8-[1-(1H-imidazol-2-yl)ethylsulfanyl]imidazo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC1=C(N2C(C(C2=O)NC3=NC4CC4N3)SC1)OC(=O)O

DOS

IR

Vibrations