Geometry & MOs

Info

ID:

178849

PubChem CID:

76389595

Reduced:

NSO3C27H27 (1)

Stoich.:

ABC3D27E27 (1)

Weight, g/mol:

887.371278

ΔHf, kcal/mol:

-61.8

Dipole, Da:

3.12

IP(EA), eV:

 -9.05(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoylamino]-4-[[1-carboxy-2-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CSCC=C(CC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations