Geometry & MOs

Info

ID:	211738
PubChem CID:	81051894
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	268.10342
ΔH_f, kcal/mol:	-49.96
Dipole, Da:	4.02
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)O)NCC2=CSC(=N2)C

DOS

IR

Vibrations