Geometry & MOs

Info

ID:	163589
PubChem CID:	58053705
Reduced:	BrNO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	411.233348
ΔH_f, kcal/mol:	-43.57
Dipole, Da:	6.66
IP(EA), eV:	-9.12(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]-2,2-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(CNC2=O)C=C1)Br

DOS

IR

Vibrations