Geometry & MOs

Info

ID:

188889

PubChem CID:

77779467

Reduced:

O2N4C15H16 (1)

Stoich.:

A2B4C15D16 (1)

Weight, g/mol:

703.495794

ΔHf, kcal/mol:

-37.52

Dipole, Da:

2.38

IP(EA), eV:

 -9.25(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-cyclohexyl-4-hydroxy-6-methyl-5-(propan-2-ylsulfanylmethyl)heptan-2-yl]-2-[[1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanamide

Drug info:

PubChemData

Smile

C1CNC(=O)C1C(=O)NC(C2=CC3=C(C=C2)C=CN=C3)N

DOS

IR

Vibrations