Geometry & MOs

Info

ID:

340059

PubChem CID:

127262068

Reduced:

O6N9C32H39 (1)

Stoich.:

A6B9C32D39 (1)

Weight, g/mol:

484.275781

ΔHf, kcal/mol:

-100.3

Dipole, Da:

5.85

IP(EA), eV:

 -9.24(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(C3=CC=C(C=C3)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N)N

DOS

IR

Vibrations