Geometry & MOs

Info

ID:	304179
PubChem CID:	124498060
Reduced:	OSN2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	304.160935
ΔH_f, kcal/mol:	3.55
Dipole, Da:	4.54
IP(EA), eV:	-8.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(2-cyclohexylsulfanylpyridin-3-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCSC1=C(C=CC=N1)[C@H]2CCCCN2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations