Geometry & MOs

Info

ID:	445692
PubChem CID:	135268958
Reduced:	FO3N5H24C26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	460.112517
ΔH_f, kcal/mol:	-55.02
Dipole, Da:	7.45
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-N-hydroperoxy-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazolidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)F)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)C(C5=CN=CC=C5)C(=O)N

DOS

IR

Vibrations