Geometry & MOs

Info

ID:

429337

PubChem CID:

135169306

Reduced:

N5C26H29 (1)

Stoich.:

A5B26C29 (1)

Weight, g/mol:

610.268588

ΔHf, kcal/mol:

90.61

Dipole, Da:

2.64

IP(EA), eV:

 -8.3(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-5-amino-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-hydroxypentanamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=C3C=C(C=C(C3=NC=C2)C)C4=CNC5=C4C=C(C=N5)C(=C)NC

DOS

IR

Vibrations