Geometry & MOs

Info

ID:	27891
PubChem CID:	824044
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	325.146013
ΔH_f, kcal/mol:	-110.9
Dipole, Da:	3.01
IP(EA), eV:	-8.39(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations