Geometry & MOs

Info

ID:	244549
PubChem CID:	99364906
Reduced:	BrN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	3.16
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C(=O)NCC2=NOC(=C2)C3=CC=CC=C3)OC

DOS

IR

Vibrations