Geometry & MOs

Info

ID:	219742
PubChem CID:	85164730
Reduced:	BO6C36H39 (1)
Stoich.:	AB6C36D39 (1)
Weight, g/mol:	578.237664
ΔH_f, kcal/mol:	-174.7
Dipole, Da:	2.97
IP(EA), eV:	-9.15(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)-5-[2-oxo-4-[6-(phenylmethoxycarbonylamino)hexanoylamino]pyrimidin-1-yl]oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)C6CC6COCOC

DOS

IR

Vibrations