Geometry & MOs

Info

ID:	65951
PubChem CID:	46484690
Reduced:	ClF3O3N6H16C21 (1)
Stoich.:	AB3C3D6E16F21 (1)
Weight, g/mol:	465.151155
ΔH_f, kcal/mol:	-183.73
Dipole, Da:	3.17
IP(EA), eV:	-9.52(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-[2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations