Geometry & MOs

Info

ID:	228659
PubChem CID:	87565495
Reduced:	ClOF3N3C25H25 (1)
Stoich.:	ABC3D3E25F25 (1)
Weight, g/mol:	537.042925
ΔH_f, kcal/mol:	-150.67
Dipole, Da:	2.57
IP(EA), eV:	-9.38(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5,7-dioxo-4-(pyridin-4-ylmethyl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-2-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(=O)NC)N[C@@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=NC(=CC=C3)Cl

DOS

IR

Vibrations