Geometry & MOs

Info

ID:	427327
PubChem CID:	135157210
Reduced:	ClFN3O9C27H33 (1)
Stoich.:	ABC3D9E27F33 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-344.21
Dipole, Da:	7.8
IP(EA), eV:	-8.93(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(1,3-benzothiazol-2-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCOCCOCCOCCOCCOCC(=O)O

DOS

IR

Vibrations