Geometry & MOs

Info

ID:	15876
PubChem CID:	454166
Reduced:	O4N5C13H19 (1)
Stoich.:	A4B5C13D19 (1)
Weight, g/mol:	309.143704
ΔH_f, kcal/mol:	-114.12
Dipole, Da:	2.2
IP(EA), eV:	-9.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N(C1=O)C(C)C)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

DOS

IR

Vibrations