Geometry & MOs

Info

ID:	246226
PubChem CID:	103050219
Reduced:	ClFSO2N3C13H19 (1)
Stoich.:	ABCD2E3F13G19 (1)
Weight, g/mol:	304.00297
ΔH_f, kcal/mol:	-113.05
Dipole, Da:	5.7
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromocyclohexyl)methyl]-4-chloro-1-fluorobenzene

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)S(=O)(=O)C2=CC(=CC(=C2F)N)Cl

DOS

IR

Vibrations