Geometry & MOs

Info

ID:

223268

PubChem CID:

85334769

Reduced:

SO16N23C57H105 (1)

Stoich.:

AB16C23D57E105 (1)

Weight, g/mol:

1400.716061

ΔHf, kcal/mol:

-750.07

Dipole, Da:

7.4

IP(EA), eV:

 -9.08(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CN

DOS

IR

Vibrations