Geometry & MOs

Info

ID:	361440
PubChem CID:	127303517
Reduced:	SN2O4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	388.228597
ΔH_f, kcal/mol:	-194.91
Dipole, Da:	8.13
IP(EA), eV:	-9.58(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCOC(C1)CCC(=O)NCCN2CCCS2(=O)=O

DOS

IR

Vibrations