Geometry & MOs

Info

ID:	243614
PubChem CID:	99233386
Reduced:	SN2O3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	420.244664
ΔH_f, kcal/mol:	-139.21
Dipole, Da:	3.79
IP(EA), eV:	-9.42(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-propan-2-ylpyrrolidin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations