Geometry & MOs

Info

ID:	128943
PubChem CID:	51063997
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	215.93568
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	5.69
IP(EA), eV:	-9.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromopyridine-2-carbothioamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations