Geometry & MOs

Info

ID:	228452
PubChem CID:	87564559
Reduced:	NPO6C9H18 (1)
Stoich.:	ABC6D9E18 (1)
Weight, g/mol:	347.148121
ΔH_f, kcal/mol:	-339.24
Dipole, Da:	2.62
IP(EA), eV:	-10.11(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)NCC(=O)OC)OCC

DOS

IR

Vibrations