Geometry & MOs

Info

ID:	243708
PubChem CID:	99234188
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	376.236208
ΔH_f, kcal/mol:	-113.81
Dipole, Da:	3.5
IP(EA), eV:	-8.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)C2=C(C=CS2)C3=CC=CC=C3

DOS

IR

Vibrations