Geometry & MOs

Info

ID:	307754
PubChem CID:	125308843
Reduced:	O2N5H9C12 (1)
Stoich.:	A2B5C9D12 (1)
Weight, g/mol:	413.147452
ΔH_f, kcal/mol:	134.81
Dipole, Da:	7.22
IP(EA), eV:	-9.76(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2S)-2-[(1S)-3-methoxy-1-[(3R)-6-methyl-2,4-dioxo-1H-pyridin-3-yl]-3-oxopropyl]-2,3-dihydrofuran-5-yl]benzoate

Drug info:

PubChemData

Smile

C1C=NN=C1C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

DOS

IR

Vibrations