Geometry & MOs

Info

ID:	219433
PubChem CID:	85148661
Reduced:	NO2C9H15 (3)
Stoich.:	AB2C9D15 (3)
Weight, g/mol:	509.03218
ΔH_f, kcal/mol:	-268.76
Dipole, Da:	7.61
IP(EA), eV:	-9.42(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-bromo-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]phenyl]-3-methyl-2-oxoimidazolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCCC[N+]2(CCOCC2)[O-]

DOS

IR

Vibrations