Geometry & MOs

Info

ID:

215658

PubChem CID:

85085040

Reduced:

O10N27C43H85 (1)

Stoich.:

A10B27C43D85 (1)

Weight, g/mol:

1140.534592

ΔHf, kcal/mol:

-417.88

Dipole, Da:

4.5

IP(EA), eV:

 -9.26(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(benzenesulfonamido)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C(CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)N)CN=C(N)N

DOS

IR

Vibrations