Geometry & MOs

Info

ID:

214768

PubChem CID:

85083607

Reduced:

N2O6H36C37 (1)

Stoich.:

A2B6C36D37 (1)

Weight, g/mol:

604.322062

ΔHf, kcal/mol:

-96.91

Dipole, Da:

2.59

IP(EA), eV:

 -9.03(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C2C(C(=O)N2CC3=CC=CC=C3)OC4=CC=CC=C4)C5C(C(=O)N5CC6=CC=CC=C6)OC7=CC=CC=C7)C

DOS

IR

Vibrations