Geometry & MOs

Info

ID:	211312
PubChem CID:	80928761
Reduced:	BrSO2N5H8C10 (1)
Stoich.:	ABC2D5E8F10 (1)
Weight, g/mol:	310.98403
ΔH_f, kcal/mol:	62.38
Dipole, Da:	6.58
IP(EA), eV:	-8.76(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-bromopyridin-2-yl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)SC2=C(C=CC(=N2)NN)[N+](=O)[O-])Br

DOS

IR

Vibrations