Geometry & MOs

Info

ID:	277482
PubChem CID:	103828887
Reduced:	BrFSN2O2C10H12 (1)
Stoich.:	ABCD2E2F10G12 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	4.3
IP(EA), eV:	-9.33(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-4-cyano-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CNCC1NS(=O)(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations