Geometry & MOs

Info

ID:

215773

PubChem CID:

85085238

Reduced:

IN7O7C34H60 (2)

Stoich.:

AB7C7D34E60 (2)

Weight, g/mol:

1687.080035

ΔHf, kcal/mol:

-733.58

Dipole, Da:

9.34

IP(EA), eV:

 -9.31(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[1-[2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)N

DOS

IR

Vibrations