Geometry & MOs

Info

ID:	240580
PubChem CID:	93608329
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	3.54
IP(EA), eV:	-8.12(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1=CN=C(C=C1)N2CCCC2)NC(=O)N

DOS

IR

Vibrations