Geometry & MOs

Info

ID:	177348
PubChem CID:	76171794
Reduced:	SO2N5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	401.147452
ΔH_f, kcal/mol:	94.05
Dipole, Da:	6.65
IP(EA), eV:	-9.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-hydroxy-2-oxopyridin-1-yl)-3a-(phenylmethoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#CCCN=[N+]=[N-])C2=CSC3C2C(C(C(=O)N3)C#N)O

DOS

IR

Vibrations