Geometry & MOs

Info

ID:	144053
PubChem CID:	53305096
Reduced:	NO6C44H69 (1)
Stoich.:	AB6C44D69 (1)
Weight, g/mol:	502.045568
ΔH_f, kcal/mol:	-364.58
Dipole, Da:	4.0
IP(EA), eV:	-9.43(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diphenyl-1,4-bis(trifluoromethylsulfonyl)piperazine

Drug info:

PubChemData

Smile

C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)[C@H](CC6=CC=CC=C6)NC(=O)OC(C)(C)C)C)C)O)C

DOS

IR

Vibrations