Geometry & MOs

Info

ID:	45067
PubChem CID:	10507720
Reduced:	N2O5C34H42 (1)
Stoich.:	A2B5C34D42 (1)
Weight, g/mol:	594.06242
ΔH_f, kcal/mol:	-165.98
Dipole, Da:	5.24
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-bromo-4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]-cyclohexylmethoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCCNC(=O)OC1=CC=CC(=C1)CN(C)CCCCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations