Geometry & MOs

Info

ID:	304373
PubChem CID:	124561416
Reduced:	ClFNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-100.95
Dipole, Da:	3.26
IP(EA), eV:	-9.27(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-(1H-indazol-6-ylmethyl)piperazin-1-yl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC(=CC=C1)F)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations