Geometry & MOs

Info

ID:	394128
PubChem CID:	135022390
Reduced:	NiN2O2H23C28 (1)
Stoich.:	AB2C2D23E28 (1)
Weight, g/mol:	349.091
ΔH_f, kcal/mol:	123.86
Dipole, Da:	5.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.152890
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10S,11S)-8-hydroxy-9-methyl-11-nitro-10-phenyl-7-oxa-2,4-diazaspiro[5.5]undecane-1,3,5-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(C(C(=O)C2=CC=CC=C2)[N-]C3=CC=CC=C3)NC4=CC=CC=C4.[Ni]

DOS

IR

Vibrations