Geometry & MOs

Info

ID:	277496
PubChem CID:	103829012
Reduced:	BrFSN2O2C14H20 (1)
Stoich.:	ABCD2E2F14G20 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	3.75
IP(EA), eV:	-9.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-3-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CN)NS(=O)(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations