Geometry & MOs

Info

ID:	121649
PubChem CID:	50775978
Reduced:	SO3N5C22H37 (1)
Stoich.:	AB3C5D22E37 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	7.73
IP(EA), eV:	-8.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCCN2CCN(CC2)C)CCC(=O)N3CCNCC3

DOS

IR

Vibrations