Geometry & MOs

Info

ID:	243634
PubChem CID:	99233534
Reduced:	SN3O6C19H29 (1)
Stoich.:	AB3C6D19E29 (1)
Weight, g/mol:	417.183461
ΔH_f, kcal/mol:	-226.96
Dipole, Da:	6.38
IP(EA), eV:	-9.71(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]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)S(=O)(=O)NOC

DOS

IR

Vibrations