Geometry & MOs

Info

ID:

439335

PubChem CID:

135229106

Reduced:

I2N4O6H36C43 (1)

Stoich.:

A2B4C6D36E43 (1)

Weight, g/mol:

675.256566

ΔHf, kcal/mol:

-40.84

Dipole, Da:

7.04

IP(EA), eV:

 -8.13(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]ethyldisulfanyl]pentanoylamino]hexoxy-methylphosphinic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1COC2=C(C=C3C(=C2)N=C[C@@H]4CC5=CC=CC=C5N4C3=O)OC)COC6=C(C=C7C(=C6)NC[C@@H]8CC9=CC=CC=C9N8C7=O)OC)I)I

DOS

IR

Vibrations