Geometry & MOs

Info

ID:	75391
PubChem CID:	48423414
Reduced:	SN3O5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	318.161329
ΔH_f, kcal/mol:	-206.49
Dipole, Da:	4.28
IP(EA), eV:	-9.23(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations