Geometry & MOs

Info

ID:

148204

PubChem CID:

53787866

Reduced:

O3C22H32 (1)

Stoich.:

A3B22C32 (1)

Weight, g/mol:

659.327168

ΔHf, kcal/mol:

-179.4

Dipole, Da:

7.03

IP(EA), eV:

 -9.22(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-aminoethyl)-N-[(2R)-1-[[(2R)-3-(4-fluorophenyl)-1-oxo-1-(2-pyridin-4-ylethylamino)propan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1CCC(CC1C)(CC(=O)CC2=C(C=C(C=C2C)C)C)CC(=O)O

DOS

IR

Vibrations