Geometry & MOs

Info

ID:	171940
PubChem CID:	75444150
Reduced:	BrOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	428.077298
ΔH_f, kcal/mol:	-30.63
Dipole, Da:	5.13
IP(EA), eV:	-9.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2,4-difluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)C2=C(N=CS2)Br

DOS

IR

Vibrations