Geometry & MOs

Info

ID:	243672
PubChem CID:	99233801
Reduced:	SO3N4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	392.231122
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	3.46
IP(EA), eV:	-8.55(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(2R)-2-(4-methoxyphenoxy)propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)SCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations