Geometry & MOs

Info

ID:	19758
PubChem CID:	572042
Reduced:	SN2O2C6H6 (1)
Stoich.:	AB2C2D6E6 (1)
Weight, g/mol:	170.014999
ΔH_f, kcal/mol:	23.48
Dipole, Da:	4.43
IP(EA), eV:	-9.02(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-nitropyridine

Drug info:

PubChemData

Smile

CSC1=C(C=CC=N1)[N+](=O)[O-]

DOS

IR

Vibrations