Geometry & MOs

Info

ID:	353066
PubChem CID:	127284216
Reduced:	NOSC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	3.15
IP(EA), eV:	-8.81(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1C(=O)N3CCSCC3

DOS

IR

Vibrations