Geometry & MOs

Info

ID:	220947
PubChem CID:	85244574
Reduced:	SO2N9H13C25 (1)
Stoich.:	AB2C9D13E25 (1)
Weight, g/mol:	244.051778
ΔH_f, kcal/mol:	216.47
Dipole, Da:	3.82
IP(EA), eV:	-9.28(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=C3N(C4=NN=NC(=C24)N=[N+]=[N-])C(=O)C(=CC5=C6C=CC=NC6=C(C=C5)O)S3)C#N

DOS

IR

Vibrations