Geometry & MOs

Info

ID:	394062
PubChem CID:	135022268
Reduced:	SO2N6H8C11 (1)
Stoich.:	AB2C6D8E11 (1)
Weight, g/mol:	322.116486
ΔH_f, kcal/mol:	92.32
Dipole, Da:	2.89
IP(EA), eV:	-8.97(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-oxocyclohexen-1-yl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=NC3=NC=NC(=C3N2)N

DOS

IR

Vibrations