Geometry & MOs

Info

ID:	173847
PubChem CID:	75690406
Reduced:	SN2O2C15H30 (1)
Stoich.:	AB2C2D15E30 (1)
Weight, g/mol:	279.15311
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	2.04
IP(EA), eV:	-8.83(0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methylsulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C(C)SC)N1CCOCC1

DOS

IR

Vibrations