Geometry & MOs

Info

ID:	77728
PubChem CID:	49658769
Reduced:	OSN5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	443.02156
ΔH_f, kcal/mol:	81.73
Dipole, Da:	7.17
IP(EA), eV:	-8.43(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations