Geometry & MOs

Info

ID:	57747
PubChem CID:	24276941
Reduced:	ClSN2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	254.064447
ΔH_f, kcal/mol:	17.76
Dipole, Da:	3.56
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-2-pyrrolidin-1-ylethanethioamide

Drug info:

PubChemData

Smile

CCN(CC)C(C1=CC(=CC=C1)Cl)C(=S)N

DOS

IR

Vibrations