Geometry & MOs

Info

ID:

180910

PubChem CID:

76702814

Reduced:

ClO2N4C17H23 (1)

Stoich.:

AB2C4D17E23 (1)

Weight, g/mol:

1306.798106

ΔHf, kcal/mol:

-60.07

Dipole, Da:

4.0

IP(EA), eV:

 -8.85(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-N-[1-[3-[2-[2-[3-[[2-[[1-[2-cyclohexyl-2-(2-methylbutanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]-3,3-diphenylpropanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-1-oxo-3,3-diphenylpropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC2=CN=C(N=C2N)NC(C)CO)C(C)C

DOS

IR

Vibrations