Geometry & MOs

Info

ID:	121644
PubChem CID:	50775860
Reduced:	SN3O3C21H35 (1)
Stoich.:	AB3C3D21E35 (1)
Weight, g/mol:	457.239913
ΔH_f, kcal/mol:	-153.93
Dipole, Da:	8.88
IP(EA), eV:	-8.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCN(CCC(=O)N1CCNCC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations