Geometry & MOs

Info

ID:	77729
PubChem CID:	49658774
Reduced:	BrFSN5H15C19 (1)
Stoich.:	ABCD5E15F19 (1)
Weight, g/mol:	425.03098
ΔH_f, kcal/mol:	89.81
Dipole, Da:	4.66
IP(EA), eV:	-8.6(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromophenyl)-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=C(C=C4)Br)F)N)C

DOS

IR

Vibrations