Geometry & MOs

Info

ID:	184865
PubChem CID:	77221436
Reduced:	O3N5C31H37 (1)
Stoich.:	A3B5C31D37 (1)
Weight, g/mol:	547.0629
ΔH_f, kcal/mol:	-69.62
Dipole, Da:	6.85
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-cyano-3-fluorophenyl)-4-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]oxy-6-oxodiazinane-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CC2CC1CN2C(=O)C3=NC=C(C=C3)C4CCCCC4)NC(=O)C5=CC6=CC=CC=C6N5

DOS

IR

Vibrations