Geometry & MOs

Info

ID:

376632

PubChem CID:

134222653

Reduced:

N3O3C29H33 (1)

Stoich.:

A3B3C29D33 (1)

Weight, g/mol:

544.284969

ΔHf, kcal/mol:

-58.36

Dipole, Da:

6.19

IP(EA), eV:

 -9.0(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4-[2-[[5-[4-(1-amino-3-fluorocyclobutyl)phenyl]-4-phenylpyridin-2-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C[C@@H]1CC(CC(O1)C)CC(=O)NC2=CC(=C(N=C2)C3=CC=C(C=C3)C4(COC4)N)C5=CC=CC=C5

DOS

IR

Vibrations