Geometry & MOs

Info

ID:

340064

PubChem CID:

127262073

Reduced:

O4N9C33H49 (1)

Stoich.:

A4B9C33D49 (1)

Weight, g/mol:

418.196468

ΔHf, kcal/mol:

-155.3

Dipole, Da:

3.51

IP(EA), eV:

 -8.16(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-4-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)N([C@@H](CCCN=C(N)N)C(=O)N)C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N)C3=CC=CC=C31

DOS

IR

Vibrations