Geometry & MOs

Info

ID:	297673
PubChem CID:	117625272
Reduced:	ClSF2N6O7C34H39 (1)
Stoich.:	ABC2D6E7F34G39 (1)
Weight, g/mol:	345.155178
ΔH_f, kcal/mol:	-263.82
Dipole, Da:	12.41
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-(hydroxymethyl)-4-(2,4,5-trifluorophenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC([C@@H](C1)COC2=CC(=C(C=C2F)S(=O)(=O)N(CC3=C(C=C(C=C3)OC)OC)C4=NN(N=N4)C)F)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations