Geometry & MOs

Info

ID:	139735
PubChem CID:	52586620
Reduced:	SN2O5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	455.224263
ΔH_f, kcal/mol:	-136.67
Dipole, Da:	6.05
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylsulfonylpiperazin-1-yl)-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3C(=O)NC

DOS

IR

Vibrations