Geometry & MOs

Info

ID:

149201

PubChem CID:

53788873

Reduced:

N5H21C22 (1)

Stoich.:

A5B21C22 (1)

Weight, g/mol:

653.360908

ΔHf, kcal/mol:

121.16

Dipole, Da:

7.98

IP(EA), eV:

 -8.73(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)N4C5=CC=CC=C5N=C4C#N

DOS

IR

Vibrations