Geometry & MOs

Info

ID:	139491
PubChem CID:	52542212
Reduced:	SF2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	428.177466
ΔH_f, kcal/mol:	-232.34
Dipole, Da:	4.71
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC3=C(C(=CC=C3)F)F

DOS

IR

Vibrations