Geometry & MOs

Info

ID:	7364
PubChem CID:	72273
Reduced:	N3O4C10H11 (1)
Stoich.:	A3B4C10D11 (1)
Weight, g/mol:	237.074956
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	1.84
IP(EA), eV:	-10.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[C-]#[N+][C@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O

DOS

IR

Vibrations