Geometry & MOs

Info

ID:	199208
PubChem CID:	79216728
Reduced:	NSO4C11H19 (1)
Stoich.:	ABC4D11E19 (1)
Weight, g/mol:	291.140533
ΔH_f, kcal/mol:	-173.51
Dipole, Da:	7.09
IP(EA), eV:	-10.23(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylsulfanylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CCS(=O)(=O)NC1CC(C=C1)C(=O)O

DOS

IR

Vibrations