Geometry & MOs

Info

ID:	189346
PubChem CID:	77843654
Reduced:	ClFSN2O4C15H18 (1)
Stoich.:	ABCD2E4F15G18 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-192.18
Dipole, Da:	5.25
IP(EA), eV:	-9.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CN(C2CS(=O)(=O)CC2N1CC3=C(C=CC(=C3)F)Cl)CC(=O)O

DOS

IR

Vibrations