Geometry & MOs

Info

ID:	77726
PubChem CID:	49658761
Reduced:	ClSO3N5H18C20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	381.081494
ΔH_f, kcal/mol:	21.65
Dipole, Da:	10.0
IP(EA), eV:	-8.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CSC(=N2)C3=C(N(N=N3)C4=CC(=C(C=C4OC)OC)Cl)N

DOS

IR

Vibrations