Geometry & MOs

Info

ID:	214925
PubChem CID:	85083862
Reduced:	N3O10C31H31 (1)
Stoich.:	A3B10C31D31 (1)
Weight, g/mol:	642.167202
ΔH_f, kcal/mol:	-231.7
Dipole, Da:	9.69
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dibenzoyloxy-5-[4-oxo-2-(2-oxobutylsulfanyl)pyrimidin-1-yl]oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CN(C)CC(=O)OC1=C(C=C(C=C1OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-])OC

DOS

IR

Vibrations