Geometry & MOs

Info

ID:	57733
PubChem CID:	24276884
Reduced:	FSN2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	5.46
IP(EA), eV:	-8.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethanethioamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(C2=CC=CC=C2F)C(=S)N

DOS

IR

Vibrations