Geometry & MOs

Info

ID:	23891
PubChem CID:	607021
Reduced:	ClNOSH12C13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	265.032813
ΔH_f, kcal/mol:	-12.63
Dipole, Da:	4.95
IP(EA), eV:	-8.83(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations