Geometry & MOs

Info

ID:	285940
PubChem CID:	104138956
Reduced:	S2N3C9H9 (1)
Stoich.:	A2B3C9D9 (1)
Weight, g/mol:	351.98811
ΔH_f, kcal/mol:	75.71
Dipole, Da:	2.77
IP(EA), eV:	-8.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-2-yl)sulfanyl-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1SC2=NC(=C3C=CSC3=N2)N

DOS

IR

Vibrations