Geometry & MOs

Info

ID:	74700
PubChem CID:	48422313
Reduced:	NSO2F3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	353.195071
ΔH_f, kcal/mol:	-221.3
Dipole, Da:	3.06
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(cyclopropylmethoxy)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1SCC(F)(F)F)OCC2CC2

DOS

IR

Vibrations