Geometry & MOs

Info

ID:	196114
PubChem CID:	78782818
Reduced:	ClSN3O5H12C15 (1)
Stoich.:	ABC3D5E12F15 (1)
Weight, g/mol:	340.179835
ΔH_f, kcal/mol:	-53.38
Dipole, Da:	6.48
IP(EA), eV:	-9.84(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NNC(=O)CCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations