Geometry & MOs

Info

ID:	20411
PubChem CID:	583815
Reduced:	SCl2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	392.062923
ΔH_f, kcal/mol:	77.25
Dipole, Da:	6.01
IP(EA), eV:	-8.93(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations