Geometry & MOs

Info

ID:	121967
PubChem CID:	50788387
Reduced:	SO3N4C26H36 (1)
Stoich.:	AB3C4D26E36 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-82.88
Dipole, Da:	4.29
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCNCC2)C3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations