Geometry & MOs

Info

ID:

375643

PubChem CID:

134214229

Reduced:

FN3O4C18H18 (1)

Stoich.:

AB3C4D18E18 (1)

Weight, g/mol:

1011.775689

ΔHf, kcal/mol:

-145.03

Dipole, Da:

4.55

IP(EA), eV:

 -8.84(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[3-[3-[[(2S)-2-amino-6-[6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanoylamino]hexanoyl]amino]propyl-(2-methoxyethyl)amino]propyl]-6-[6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanoylamino]hexanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C=CN=C(C2=C1)OC[C@@H]3C4[C@@H](C4CF)C(=O)N3)C(=O)N

DOS

IR

Vibrations