Geometry & MOs

Info

ID:	344821
PubChem CID:	127268461
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	379.192963
ΔH_f, kcal/mol:	-59.83
Dipole, Da:	5.76
IP(EA), eV:	-9.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclohexylmethylsulfonyl)piperazin-1-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)NCCC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations