Geometry & MOs

Info

ID:

179893

PubChem CID:

76551046

Reduced:

FN2O3C15H20 (2)

Stoich.:

AB2C3D15E20 (2)

Weight, g/mol:

1164.722577

ΔHf, kcal/mol:

-346.15

Dipole, Da:

3.92

IP(EA), eV:

 -9.2(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-[4-(ethoxymethyl)piperidin-1-yl]pentanamide;formic acid

Drug info:

PubChemData

Smile

CCCCN1CC(=O)N(CC1=O)CC(=O)NC(CC2=CC(=CC(=C2)F)F)C(CNCC3=CC=CC(=C3)CC)O.C(=O)O

DOS

IR

Vibrations