Geometry & MOs

Info

ID:	243670
PubChem CID:	99233795
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-135.17
Dipole, Da:	6.61
IP(EA), eV:	-8.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)CSC2=CC=NC=C2

DOS

IR

Vibrations