Geometry & MOs

Info

ID:

299811

PubChem CID:

117695708

Reduced:

NOH8C9 (6)

Stoich.:

ABC8D9 (6)

Weight, g/mol:

485.106196

ΔHf, kcal/mol:

102.68

Dipole, Da:

6.24

IP(EA), eV:

 -8.2(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[ethoxy(phenyl)phosphoryl]-4-[2-(4-methoxyphenyl)ethynyl]pyridin-2-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=N1)CN2CCN(CCN(CC2)CC3=NC(=CC(=C3)C#CC4=CC=CC=C4)C(=O)OC)CC5=NC(=CC(=C5)C#CC6=CC=CC=C6)C(=O)OC)C#CC7=CC=CC=C7

DOS

IR

Vibrations