Geometry & MOs

Info

ID:	60735
PubChem CID:	26697526
Reduced:	N2S2O7C20H28 (1)
Stoich.:	A2B2C7D20E28 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-284.01
Dipole, Da:	3.24
IP(EA), eV:	-9.65(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopentyl-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3)C(=O)OC

DOS

IR

Vibrations