Geometry & MOs

Info

ID:	121435
PubChem CID:	50767999
Reduced:	SN3O3C21H33 (1)
Stoich.:	AB3C3D21E33 (1)
Weight, g/mol:	422.235162
ΔH_f, kcal/mol:	-129.98
Dipole, Da:	4.77
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1CCNC(=O)CC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations