Geometry & MOs

Info

ID:	83957
PubChem CID:	49862852
Reduced:	S2N4O5H24C28 (1)
Stoich.:	A2B4C5D24E28 (1)
Weight, g/mol:	491.177583
ΔH_f, kcal/mol:	-77.9
Dipole, Da:	7.79
IP(EA), eV:	-9.3(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-N-[(1R)-1-phenylethyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

Drug info:

PubChemData

Smile

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=CC4=CC=CC=C4C=C3)C(=O)O)/C=C/CNC(=O)C5=CN=CC=C5

DOS

IR

Vibrations