Geometry & MOs

Info

ID:	188160
PubChem CID:	77675943
Reduced:	ClSO3N4C26H29 (1)
Stoich.:	ABC3D4E26F29 (1)
Weight, g/mol:	709.385277
ΔH_f, kcal/mol:	-19.37
Dipole, Da:	1.88
IP(EA), eV:	-8.71(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 5-methylidene-3-[4-nonoxy-5-(trityloxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-3-ium-1-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C(C)O)OC2=CC3=C(C=C2)SC(=N3)C)CC4=NOC(=C4)C5=CC=CC=C5Cl

DOS

IR

Vibrations