Geometry & MOs

Info

ID:	298106
PubChem CID:	117647537
Reduced:	PN3O7C17H20 (1)
Stoich.:	AB3C7D17E20 (1)
Weight, g/mol:	296.100836
ΔH_f, kcal/mol:	-246.7
Dipole, Da:	2.54
IP(EA), eV:	-9.49(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC1=CC=CC=C1)OC2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations