Geometry & MOs

Info

ID:	288064
PubChem CID:	104310360
Reduced:	OBr2N3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	215.93568
ΔH_f, kcal/mol:	49.22
Dipole, Da:	1.4
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromopyridine-2-carbothioamide

Drug info:

PubChemData

Smile

CCC(C1=NC(=NO1)C2=C(C=CC=N2)Br)Br

DOS

IR

Vibrations