Geometry & MOs

Info

ID:	181964
PubChem CID:	76821406
Reduced:	ClO2F3N4C21H22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	528.138732
ΔH_f, kcal/mol:	-224.71
Dipole, Da:	1.06
IP(EA), eV:	-9.4(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-[3-(trifluoromethoxy)anilino]-1,3,5-triazinan-1-yl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=O)NC(N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations