Geometry & MOs

Info

ID:	16841
PubChem CID:	477449
Reduced:	SN4O4H8C13 (1)
Stoich.:	AB4C4D8E13 (1)
Weight, g/mol:	316.026626
ΔH_f, kcal/mol:	83.11
Dipole, Da:	6.38
IP(EA), eV:	-9.47(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dinitrophenyl)methylsulfanyl]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC2=NC=CC(=C2)C#N

DOS

IR

Vibrations