Geometry & MOs

Info

ID:	368630
PubChem CID:	127329700
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	370.167477
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	3.02
IP(EA), eV:	-9.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)N(CC2CCOC2)C3CC3

DOS

IR

Vibrations