Geometry & MOs

Info

ID:	419725
PubChem CID:	135108908
Reduced:	N4O5C20H26 (1)
Stoich.:	A4B5C20D26 (1)
Weight, g/mol:	436.131361
ΔH_f, kcal/mol:	-142.55
Dipole, Da:	2.68
IP(EA), eV:	-9.07(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorobenzoyl)-11-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2CCC3(CC2)CN(C(=O)CCO3)CC4=NOC(=N4)C

DOS

IR

Vibrations