Geometry & MOs

Info

ID:	16648
PubChem CID:	474354
Reduced:	O2N4C7H8 (2)
Stoich.:	A2B4C7D8 (2)
Weight, g/mol:	360.129451
ΔH_f, kcal/mol:	-21.86
Dipole, Da:	6.82
IP(EA), eV:	-9.75(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5R)-3-azido-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N=C1N2C=NC=N2)[C@H]3C[C@@H]([C@H](O3)COC(=O)C)N=[N+]=[N-]

DOS

IR

Vibrations