Geometry & MOs

Info

ID:

215053

PubChem CID:

85084061

Reduced:

NO6H41C44 (1)

Stoich.:

AB6C41D44 (1)

Weight, g/mol:

679.442118

ΔHf, kcal/mol:

-114.23

Dipole, Da:

3.39

IP(EA), eV:

 -8.38(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[1-[[1-[[1-[[1-(2-aminoethylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C6=CC=CC=C6)CCN3CC7CC7)OCC8=C9C=CC=CC9=CC1=CC=CC=C18

DOS

IR

Vibrations