Geometry & MOs

Info

ID:	369248
PubChem CID:	127331602
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	369.208613
ΔH_f, kcal/mol:	-54.24
Dipole, Da:	2.2
IP(EA), eV:	-8.77(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylthiomorpholin-4-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)C2=C(ON=C2C)C)C

DOS

IR

Vibrations