Geometry & MOs

Info

ID:

340061

PubChem CID:

127262070

Reduced:

O5N8C23H36 (1)

Stoich.:

A5B8C23D36 (1)

Weight, g/mol:

751.604767

ΔHf, kcal/mol:

-119.1

Dipole, Da:

8.32

IP(EA), eV:

 -9.51(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-octadecylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N)N

DOS

IR

Vibrations