Geometry & MOs

Info

ID:	178040
PubChem CID:	76267589
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	500.235888
ΔH_f, kcal/mol:	-7.3
Dipole, Da:	1.72
IP(EA), eV:	-8.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)SC2=NNC3N2C4CCCCC4C(=O)N3C

DOS

IR

Vibrations