Geometry & MOs

Info

ID:	320963
PubChem CID:	126664302
Reduced:	SO3F4N4C31H34 (1)
Stoich.:	AB3C4D4E31F34 (1)
Weight, g/mol:	408.156433
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	7.09
IP(EA), eV:	-9.17(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1-azido-2-methoxy-2-oxoethyl)-4-(4-chlorophenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H]2CCN([C@H](CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H]([C@@H](C4=CC=C(C=C4)F)C5=CC(=CC(=C5)F)F)N)S(=O)(=O)C1

DOS

IR

Vibrations