Geometry & MOs

Info

ID:	166220
PubChem CID:	74651265
Reduced:	SN4O6C21H32 (1)
Stoich.:	AB4C6D21E32 (1)
Weight, g/mol:	486.160677
ΔH_f, kcal/mol:	-239.79
Dipole, Da:	3.61
IP(EA), eV:	-9.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)N2CCOCC2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations