Geometry & MOs

Info

ID:	300473
PubChem CID:	121286644
Reduced:	SO2N7C13H17 (1)
Stoich.:	AB2C7D13E17 (1)
Weight, g/mol:	213.92003
ΔH_f, kcal/mol:	26.56
Dipole, Da:	2.98
IP(EA), eV:	-9.1(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-sulfanylpyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CSC(=N1)C2=NCN3C2=NNN(C3=O)C

DOS

IR

Vibrations