Geometry & MOs

Info

ID:	243669
PubChem CID:	99233792
Reduced:	N3O4C19H33 (1)
Stoich.:	A3B4C19D33 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-231.21
Dipole, Da:	0.91
IP(EA), eV:	-9.31(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)CN2CCCCCC2=O

DOS

IR

Vibrations