Geometry & MOs

Info

ID:	347099
PubChem CID:	127271603
Reduced:	FSN3O5C16H22 (1)
Stoich.:	ABC3D5E16F22 (1)
Weight, g/mol:	359.145676
ΔH_f, kcal/mol:	-233.68
Dipole, Da:	6.42
IP(EA), eV:	-9.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethyl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations