Geometry & MOs

Info

ID:

214702

PubChem CID:

85083435

Reduced:

O6C37H40 (1)

Stoich.:

A6B37C40 (1)

Weight, g/mol:

580.364124

ΔHf, kcal/mol:

-222.75

Dipole, Da:

3.06

IP(EA), eV:

 -9.06(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[6-(butylamino)-1-cyclohexyl-3-hydroxy-5-methyl-6-oxohexan-2-yl]amino]-1-oxopentan-2-yl]oxy-(3-phenylpropyl)phosphinic acid

Drug info:

PubChemData

Smile

CC1(OCC(C(O1)CCC2=CC(=CC=C2)C3=CC4=C(C=C3)C=CC(=C4)C(=O)OC(C)(C)C)C(=O)OCC5=CC=CC=C5)C

DOS

IR

Vibrations