Geometry & MOs

Info

ID:	176768
PubChem CID:	76096340
Reduced:	FSO4C7H13 (1)
Stoich.:	ABC4D7E13 (1)
Weight, g/mol:	308.164854
ΔH_f, kcal/mol:	-228.28
Dipole, Da:	3.71
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(ethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrazolidine-1-carboxamide

Drug info:

PubChemData

Smile

C(CSCC(=O)C(C(CO)O)O)F

DOS

IR

Vibrations