Geometry & MOs

Info

ID:

429315

PubChem CID:

135169284

Reduced:

SO3N6C16H20 (1)

Stoich.:

AB3C6D16E20 (1)

Weight, g/mol:

644.219923

ΔHf, kcal/mol:

-54.88

Dipole, Da:

7.71

IP(EA), eV:

 -9.02(-1.49)

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-(methanesulfonamido)pentanediamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C(=O)C(CCCN=C(N)N)NC(=O)CNC=O

DOS

IR

Vibrations