Geometry & MOs

Info

ID:	219743
PubChem CID:	85164731
Reduced:	N2O4C15H17 (2)
Stoich.:	A2B4C15D17 (2)
Weight, g/mol:	580.187937
ΔH_f, kcal/mol:	-289.88
Dipole, Da:	0.92
IP(EA), eV:	-9.5(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-4-(2-hydroxyethylsulfonyl)-5-(trityloxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=CC(=NC2=O)NC(=O)CCCCCNC(=O)OCC3=CC=CC=C3)CO)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations