Geometry & MOs

Info

ID:	177975
PubChem CID:	76259242
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	424.103911
ΔH_f, kcal/mol:	76.19
Dipole, Da:	4.88
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1C(NNC1C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations