Geometry & MOs

Info

ID:

429348

PubChem CID:

135169322

Reduced:

SO5N11C33H45 (1)

Stoich.:

AB5C11D33E45 (1)

Weight, g/mol:

709.348235

ΔHf, kcal/mol:

-140.0

Dipole, Da:

3.74

IP(EA), eV:

 -9.22(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[5-(diaminomethylamino)pentanoylamino]pentanediamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2)NC(=O)C(CCC(=O)N)NC(=O)CCCCN=C(N)N

DOS

IR

Vibrations