Geometry & MOs

Info

ID:	181962
PubChem CID:	76821245
Reduced:	Cl2O2N4F6H18C25 (1)
Stoich.:	A2B2C4D6E18F25 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-347.01
Dipole, Da:	4.72
IP(EA), eV:	-9.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2NC(=O)N(C(=O)N2CC3=CC=C(C=C3)C(F)(F)F)CC4=CC(=C(C=C4)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations