Geometry & MOs

Info

ID:	148371
PubChem CID:	53788033
Reduced:	SO2H5N5C7 (1)
Stoich.:	AB2C5D5E7 (1)
Weight, g/mol:	708.275771
ΔH_f, kcal/mol:	137.77
Dipole, Da:	9.23
IP(EA), eV:	-9.1(-2.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (4S,5R)-3-(diphenoxyphosphoryloxymethyl)-7-oxo-4-(2-triethylsilyloxypropyl)-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

C=CC1=NNSC1=C2N=CC(=N2)[N+](=O)[O-]

DOS

IR

Vibrations