Geometry & MOs

Info

ID:	139086
PubChem CID:	52470261
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	413.041194
ΔH_f, kcal/mol:	-26.18
Dipole, Da:	4.43
IP(EA), eV:	-9.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

methylsulfonyl-[4-[2-oxo-2-[[(2S,3R)-6-oxo-2-thiophen-3-ylpiperidin-3-yl]amino]ethyl]-1,3-thiazol-2-yl]azanide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H](C)NC(=O)C1=CC=CC=C1C2=CC=CC=C2C#N

DOS

IR

Vibrations