Geometry & MOs

Info

ID:	345139
PubChem CID:	127268899
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	358.192629
ΔH_f, kcal/mol:	-133.66
Dipole, Da:	2.73
IP(EA), eV:	-9.54(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-(oxolan-2-ylmethylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations