Geometry & MOs

Info

ID:

376633

PubChem CID:

134222654

Reduced:

FO3N4C32H37 (1)

Stoich.:

AB3C4D32E37 (1)

Weight, g/mol:

572.316269

ΔHf, kcal/mol:

-120.58

Dipole, Da:

4.64

IP(EA), eV:

 -9.02(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(C1CCC(CC1)CC(=O)NC2=NC=C(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5(CC(C5)F)N)C(=O)OC

DOS

IR

Vibrations