Geometry & MOs

Info

ID:

223264

PubChem CID:

85334765

Reduced:

N17O17C64H115 (1)

Stoich.:

A17B17C64D115 (1)

Weight, g/mol:

1397.8004

ΔHf, kcal/mol:

-965.41

Dipole, Da:

11.34

IP(EA), eV:

 -9.42(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[2-[[2-[[1-[2-[[2-[[2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-carboxypropanoyl]amino]propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(COC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)N)N

DOS

IR

Vibrations