Geometry & MOs

Info

ID:	44436
PubChem CID:	10503584
Reduced:	NO5F6C18H23 (1)
Stoich.:	AB5C6D18E23 (1)
Weight, g/mol:	446.06636
ΔH_f, kcal/mol:	-547.17
Dipole, Da:	2.84
IP(EA), eV:	-8.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromophenyl]-cyclohexylmethyl]hydroxylamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[N+]1=CC=CC=C1CCC(=O)OCC(F)(F)F.C(C(F)(F)F)[O-]

DOS

IR

Vibrations