Geometry & MOs

Info

ID:

6435

PubChem CID:

68615

Reduced:

SO4N8C29H42 (1)

Stoich.:

AB4C8D29E42 (1)

Weight, g/mol:

598.304973

ΔHf, kcal/mol:

-136.55

Dipole, Da:

6.6

IP(EA), eV:

 -9.0(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)N

DOS

IR

Vibrations