Geometry & MOs

Info

ID:

59602

PubChem CID:

24878760

Reduced:

BrN3O6C25H28 (1)

Stoich.:

AB3C6D25E28 (1)

Weight, g/mol:

592.124494

ΔHf, kcal/mol:

-220.44

Dipole, Da:

4.36

IP(EA), eV:

 -9.23(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,6R,7S,8S,9S)-6-(2-amino-1H-imidazol-5-yl)-7,8-bis(azidomethyl)-9-chloro-1,3-diazaspiro[4.4]non-2-en-2-amine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C

DOS

IR

Vibrations