Geometry & MOs

Info

ID:	260268
PubChem CID:	103187206
Reduced:	ClO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	257.038961
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	1.82
IP(EA), eV:	-9.33(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(thiolan-2-ylmethyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)O)NC(=O)C2=CN=CC(=N2)Cl

DOS

IR

Vibrations