Geometry & MOs

Info

ID:	299813
PubChem CID:	117695712
Reduced:	PSN2O8C31H37 (1)
Stoich.:	ABC2D8E31F37 (1)
Weight, g/mol:	557.217854
ΔH_f, kcal/mol:	-292.97
Dipole, Da:	8.96
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[ethoxy(phenyl)phosphoryl]-4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]pyridin-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=CC=C1)C2=CC(=CC(=N2)COS(=O)(=O)C)C#CC3=CC=C(C=C3)OCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations