Geometry & MOs

Info

ID:

143593

PubChem CID:

53231794

Reduced:

N5C18H23 (1)

Stoich.:

A5B18C23 (1)

Weight, g/mol:

589.329607

ΔHf, kcal/mol:

119.7

Dipole, Da:

4.24

IP(EA), eV:

 -8.36(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN(C)CC2=CC=C(C=C2)CN=[N+]=[N-]

DOS

IR

Vibrations