Geometry & MOs

Info

ID:

223160

PubChem CID:

85334614

Reduced:

SO7N8C27H46 (2)

Stoich.:

AB7C8D27E46 (2)

Weight, g/mol:

1253.666926

ΔHf, kcal/mol:

-698.85

Dipole, Da:

5.55

IP(EA), eV:

 -9.12(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[5-amino-2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C(C)C)NC(=O)C(CS)N

DOS

IR

Vibrations