Geometry & MOs

Info

ID:	170704
PubChem CID:	75269791
Reduced:	OSN2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	400.158055
ΔH_f, kcal/mol:	-5.11
Dipole, Da:	5.86
IP(EA), eV:	-9.22(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylpyrazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC2C(=NC(=NC2=O)CSCC(=O)NCC3=CC=CC=N3)S1

DOS

IR

Vibrations