Geometry & MOs

Info

ID:

215231

PubChem CID:

85084403

Reduced:

SN4O6C44H54 (1)

Stoich.:

AB4C6D44E54 (1)

Weight, g/mol:

767.454139

ΔHf, kcal/mol:

-220.75

Dipole, Da:

4.64

IP(EA), eV:

 -8.58(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[2-[[2-[2-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]propanoylamino]-3-methylbutanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(CC1=CC=CC=C1)SC(CC2=CC=CC=C2)CNC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations