Geometry & MOs

Info

ID:	121968
PubChem CID:	50788533
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	443.224263
ΔH_f, kcal/mol:	-96.6
Dipole, Da:	5.1
IP(EA), eV:	-9.04(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(CC(=O)N2CCNCC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations