Geometry & MOs

Info

ID:	194342
PubChem CID:	78518333
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	419.185649
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	1.9
IP(EA), eV:	-8.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluoroanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(C)CC)C

DOS

IR

Vibrations