Geometry & MOs

Info

ID:	169737
PubChem CID:	75142710
Reduced:	NOF2C9H9 (3)
Stoich.:	ABC2D9E9 (3)
Weight, g/mol:	450.150347
ΔH_f, kcal/mol:	-426.62
Dipole, Da:	6.36
IP(EA), eV:	-9.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-N-(3-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=CC(=CC=C1)C(F)(F)F)N2C3CCCCC3C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations