Geometry & MOs

Info

ID:	15818
PubChem CID:	452219
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	267.096754
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	8.98
IP(EA), eV:	-9.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(2S)-1-azido-3-hydroxypropan-2-yl]oxy-6-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CN2[C@@H](COC2=NC1=O)O[C@@H](CN=[N+]=[N-])CO

DOS

IR

Vibrations