Geometry & MOs

Info

ID:	187359
PubChem CID:	77563283
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	530.249333
ΔH_f, kcal/mol:	-109.4
Dipole, Da:	3.24
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[[4-butyl-1-[(2,6-difluorophenyl)methyl]-2-methyl-2H-pyrimidin-5-yl]methyl]phenyl]phenyl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)N3CCC4CC(CCC4(C3)CO)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations