Geometry & MOs

Info

ID:

223152

PubChem CID:

85334603

Reduced:

N14O17C58H78 (1)

Stoich.:

A14B17C58D78 (1)

Weight, g/mol:

1242.559761

ΔHf, kcal/mol:

-710.64

Dipole, Da:

9.6

IP(EA), eV:

 -9.02(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[[4-amino-1-[[1-[[1-[[4-amino-1-[[1-(carboxymethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CC5=CN=CN5)C(=O)NCC(=O)O)NC(=O)C(CC6=CC=C(C=C6)O)N

DOS

IR

Vibrations