Geometry & MOs

Info

ID:	77727
PubChem CID:	49658767
Reduced:	ClSN5H16C19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	391.146681
ΔH_f, kcal/mol:	122.87
Dipole, Da:	5.62
IP(EA), eV:	-8.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CSC(=N2)C3=C(N(N=N3)C4=CC=CC=C4Cl)N)C

DOS

IR

Vibrations