Geometry & MOs

Info

ID:	230034
PubChem CID:	87569901
Reduced:	FOSN2C17H21 (1)
Stoich.:	ABCD2E17F21 (1)
Weight, g/mol:	228.04913
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	1.53
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dichloromethyl-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC3=C(S2)C=CC(=C3)OC/C(=C/CN)/F

DOS

IR

Vibrations