Geometry & MOs

Info

ID:	424015
PubChem CID:	135121040
Reduced:	ClO3N4F6H9C17 (1)
Stoich.:	AB3C4D6E9F17 (1)
Weight, g/mol:	503.097202
ΔH_f, kcal/mol:	-306.97
Dipole, Da:	5.16
IP(EA), eV:	-10.06(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[6-oxo-1-[(6-oxo-5-phenyldiazinan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=O)N=NC1CN2C=NC(=C(C2=O)OC3=CC(=CC(=C3)C(F)(F)F)Cl)C(F)(F)F

DOS

IR

Vibrations