Geometry & MOs

Info

ID:

429349

PubChem CID:

135169323

Reduced:

SO5N11C33H47 (1)

Stoich.:

AB5C11D33E47 (1)

Weight, g/mol:

602.274736

ΔHf, kcal/mol:

-159.39

Dipole, Da:

8.38

IP(EA), eV:

 -9.21(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[2-[[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[5-(diaminomethylideneamino)pentanoylamino]-5-oxopentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2)NC(=O)[C@H](CCC(=O)N)NC(=O)CCCCNC(N)N

DOS

IR

Vibrations