Geometry & MOs

Info

ID:

176220

PubChem CID:

76012897

Reduced:

NO3C32H53 (1)

Stoich.:

AB3C32D53 (1)

Weight, g/mol:

1394.901343

ΔHf, kcal/mol:

-211.48

Dipole, Da:

2.47

IP(EA), eV:

-9.45(1.03)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)NCCO

DOS

IR

Vibrations