Geometry & MOs

Info

ID:	329841
PubChem CID:	127246708
Reduced:	O2S2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	3.1
IP(EA), eV:	-8.66(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations