Geometry & MOs

Info

ID:	31506
PubChem CID:	855801
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	336.000323
ΔH_f, kcal/mol:	16.01
Dipole, Da:	4.44
IP(EA), eV:	-8.79(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2

DOS

IR

Vibrations