Geometry & MOs

Info

ID:

83971

PubChem CID:

49862992

Reduced:

ClFN3O3C27H33 (1)

Stoich.:

ABC3D3E27F33 (1)

Weight, g/mol:

515.198712

ΔHf, kcal/mol:

-154.7

Dipole, Da:

3.41

IP(EA), eV:

 -8.8(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,3S)-2-[[1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)N1CCC2(CC1)CN(C2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)F

DOS

IR

Vibrations