Geometry & MOs

Info

ID:	243632
PubChem CID:	99233524
Reduced:	FSN2O5C20H29 (1)
Stoich.:	ABC2D5E20F29 (1)
Weight, g/mol:	363.182792
ΔH_f, kcal/mol:	-279.03
Dipole, Da:	3.1
IP(EA), eV:	-9.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@H](C1)CNC(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations