Geometry & MOs

Info

ID:	221685
PubChem CID:	85285940
Reduced:	IN4O5C25H27 (1)
Stoich.:	AB4C5D25E27 (1)
Weight, g/mol:	592.19343
ΔH_f, kcal/mol:	-111.42
Dipole, Da:	1.6
IP(EA), eV:	-8.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-benzoyl-2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] bis(1-cyano-2-methylpropan-2-yl) phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(CCC[N+]2=NC=CC(=C2)C(=O)N)NC(=O)OCC3=CC=CC=C3.[I-]

DOS

IR

Vibrations