Geometry & MOs

Info

ID:

188799

PubChem CID:

77768423

Reduced:

N4O7C35H54 (1)

Stoich.:

A4B7C35D54 (1)

Weight, g/mol:

749.509135

ΔHf, kcal/mol:

-343.06

Dipole, Da:

5.54

IP(EA), eV:

 -8.14(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyclohexyl-4-hydroxy-5-[2-[[1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanoylamino]-2-propan-2-yl-N-(pyridin-3-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N(C(CC1=CNC2=CC=CC=C21)C(CC(=O)OCC)O)C3(CCCCC3)C(=O)OC(C)(C)C)NC(=O)C(C)N

DOS

IR

Vibrations