Geometry & MOs

Info

ID:	64807
PubChem CID:	29204027
Reduced:	FN2S2O4H19C20 (1)
Stoich.:	AB2C2D4E19F20 (1)
Weight, g/mol:	483.081517
ΔH_f, kcal/mol:	-102.92
Dipole, Da:	8.86
IP(EA), eV:	-9.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-chloro-3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]sulfonyl-(4-methylsulfonylphenyl)azanide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N(CC3=CC=CS3)[C@H]4CCS(=O)(=O)C4)F

DOS

IR

Vibrations