Geometry & MOs

Info

ID:

185704

PubChem CID:

77335999

Reduced:

O3N4C24H25 (2)

Stoich.:

A3B4C24D25 (2)

Weight, g/mol:

635.264804

ΔHf, kcal/mol:

-127.12

Dipole, Da:

4.64

IP(EA), eV:

 -8.26(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[[2-hydroxy-3-[3-(hydroxymethyl)-4-phenylmethoxyphenoxy]propyl]amino]ethyl]phenoxy]methyl-(3-phenoxypropyl)phosphinic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC4=C(C=C3)C5=C(C=C6C(=C5)C=CC7=C6N=C(N7)C8CCCN8C(=O)C(C9=CC=CC=C9)NC(=O)C1CC1)OC4)NC(=O)OC

DOS

IR

Vibrations