Geometry & MOs

Info

ID:	16334
PubChem CID:	464739
Reduced:	ClSN2O3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	352.064841
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	5.98
IP(EA), eV:	-8.54(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(3,5-dimethylphenyl)sulfinyl-5-ethyl-6-methyl-3-nitropyridine

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=C1S(=O)C2=CC(=CC(=C2)C)C)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations