Geometry & MOs

Info

ID:

170021

PubChem CID:

75183500

Reduced:

Cl2N5O7C34H41 (1)

Stoich.:

A2B5C7D34E41 (1)

Weight, g/mol:

548.249883

ΔHf, kcal/mol:

-268.09

Dipole, Da:

2.13

IP(EA), eV:

 -8.86(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(1-adamantyl)acetyl]amino]-3-[[3-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxypropyl]-hydroxyphosphoryl]oxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)OC(CC4=CC(=C(C(=C4)Cl)OC=O)Cl)C(=O)N5CCN(CC5)C6CCOCC6

DOS

IR

Vibrations