Geometry & MOs

Info

ID:	226495
PubChem CID:	87457586
Reduced:	BrF3N3O3H13C18 (1)
Stoich.:	AB3C3D3E13F18 (1)
Weight, g/mol:	523.082483
ΔH_f, kcal/mol:	-202.6
Dipole, Da:	3.36
IP(EA), eV:	-9.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-chloro-3,4,4-tris(methylsulfanyl)-2,3-dihydrochromen-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC12C(=O)N(C(=O)N2CC3=CC(=NC=C3)Br)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations