Geometry & MOs

Info

ID:	53190
PubChem CID:	14709726
Reduced:	O2N5C6H11 (1)
Stoich.:	A2B5C6D11 (1)
Weight, g/mol:	361.073242
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	3.61
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)propan-2-yl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C(CO)N1C(=O)C(=C(C(=N1)N)N)N

DOS

IR

Vibrations