Geometry & MOs

Info

ID:	89358
PubChem CID:	49960758
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	722.11778
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	3.99
IP(EA), eV:	-8.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-[4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C(=O)N/N=C/C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations