Geometry & MOs

Info

ID:	16181
PubChem CID:	460993
Reduced:	N5O5C11H13 (1)
Stoich.:	A5B5C11D13 (1)
Weight, g/mol:	295.091669
ΔH_f, kcal/mol:	-111.23
Dipole, Da:	4.61
IP(EA), eV:	-9.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3R,4R,7S)-7-azido-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)N=[N+]=[N-]

DOS

IR

Vibrations