Geometry & MOs

Info

ID:	290397
PubChem CID:	104450841
Reduced:	OSN4C9H12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	389.84962
ΔH_f, kcal/mol:	43.73
Dipole, Da:	5.24
IP(EA), eV:	-8.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dibromopyridin-2-yl)sulfanylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CS(=O)C)NC1=NC=CN=C1C#N

DOS

IR

Vibrations