Geometry & MOs

Info

ID:

185280

PubChem CID:

77279773

Reduced:

N2O6C25H38 (1)

Stoich.:

A2B6C25D38 (1)

Weight, g/mol:

657.384997

ΔHf, kcal/mol:

-254.51

Dipole, Da:

6.83

IP(EA), eV:

 -9.58(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-[2-[2-[[2-(azetidine-2-carbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-4-methylpentanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CCCCCC=C)C(=O)N(C(=O)C1CCCN1)C2(CC2C=C)C(=O)O

DOS

IR

Vibrations