Geometry & MOs

Info

ID:	7363
PubChem CID:	72272
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	251.090606
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	3.74
IP(EA), eV:	-10.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations