Geometry & MOs

Info

ID:	228671
PubChem CID:	87565517
Reduced:	BrNO2F7H13C18 (1)
Stoich.:	ABC2D7E13F18 (1)
Weight, g/mol:	394.125275
ΔH_f, kcal/mol:	-413.04
Dipole, Da:	4.4
IP(EA), eV:	-9.99(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-2,5,6-trifluoro-4-methoxyphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)Br)N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

DOS

IR

Vibrations