Geometry & MOs

Info

ID:	60374
PubChem CID:	26683942
Reduced:	SCl2N2O5C21H22 (1)
Stoich.:	AB2C2D5E21F22 (1)
Weight, g/mol:	471.182792
ΔH_f, kcal/mol:	-185.5
Dipole, Da:	5.4
IP(EA), eV:	-9.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)OC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations