Geometry & MOs

Info

ID:	79197
PubChem CID:	49747369
Reduced:	SN4O5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	547.11404
ΔH_f, kcal/mol:	-135.13
Dipole, Da:	10.67
IP(EA), eV:	-7.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC(=NN3)C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations