Geometry & MOs

Info

ID:

223261

PubChem CID:

85334761

Reduced:

O12N25C61H111 (1)

Stoich.:

A12B25C61D111 (1)

Weight, g/mol:

1391.763346

ΔHf, kcal/mol:

-564.94

Dipole, Da:

17.41

IP(EA), eV:

 -8.64(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-4-[[1-[[5-amino-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations