Geometry & MOs

Info

ID:	44324
PubChem CID:	10502764
Reduced:	OS2N4H18C23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	430.213528
ΔH_f, kcal/mol:	113.23
Dipole, Da:	6.15
IP(EA), eV:	-8.12(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C/C(=C\1/C=CC=CC1=O)/NC2=NN=C(S2)CN3C4=CC=CC=C4SC5=CC=CC=C53

DOS

IR

Vibrations