Geometry & MOs

Info

ID:

223026

PubChem CID:

85334038

Reduced:

SO7N14C46H60 (1)

Stoich.:

AB7C14D46E60 (1)

Weight, g/mol:

955.545079

ΔHf, kcal/mol:

-198.42

Dipole, Da:

4.44

IP(EA), eV:

 -8.16(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-amino-2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CS)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations