Geometry & MOs

Info

ID:

449895

PubChem CID:

135302348

Reduced:

F2N3O4H29C30 (1)

Stoich.:

A2B3C4D29E30 (1)

Weight, g/mol:

584.13181

ΔHf, kcal/mol:

-173.21

Dipole, Da:

2.89

IP(EA), eV:

 -9.23(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(3R)-1-(tert-butylamino)-5-[[(2S)-4-(naphthalen-1-ylmethylamino)-4-oxobutan-2-yl]amino]-1,5-dioxopentan-3-yl]amino] thiohypoiodite

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C(=O)C2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)(F)F)[C@@H](C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations