Geometry & MOs

Info

ID:	278218
PubChem CID:	103834164
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	365.00966
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	3.07
IP(EA), eV:	-10.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)NCC2(CCCCC2)O

DOS

IR

Vibrations