Geometry & MOs

Info

ID:

173

PubChem CID:

2231

Reduced:

O5N9C19H37 (2)

Stoich.:

A5B9C19D37 (2)

Weight, g/mol:

942.583531

ΔHf, kcal/mol:

-457.45

Dipole, Da:

11.82

IP(EA), eV:

 -9.48(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-amino-2-[[2-[2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations